Formula |
C20H22N2O5 |
IUPAC Name |
[(3r,4r)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-hydroxybenzoate |
Molecular Mass |
370.399 g·mol−1 |
Heat of Formation |
-728.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.89 ± 1.08 D |
Volume |
440.18 Å 3 |
Surface Area |
343.89 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
2.46 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate
- 4-hydroxybenzoic acid [(3r,4r)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] ester
- 4-hydroxybenzoic acid [(3r,4r)-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-azepanyl] ester
- [(3r,4r)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-hydroxybenzoate
- [(3r,4r)-3-[(4-hydroxyphenyl)carbonylamino]azepan-4-yl] 4-hydroxybenzoate
- b1l
- balanol analog 1
|
InChIKey |
FZJQHARRQUNVGZ-QZTJIDSGSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|