(3S,6S,9S,13S,17S,18R,18Ar)-17,18-Dichloro-3-Ethyl-6,13-Bis(Hydroxymethyl)-9-Phenyldodecahydropyrrolo[1,2-D][1,4,7,10,13]Pentaazacyclohexadecine-1,4,7,11,14(8H)-Pentone
Properties
Property | Value |
---|---|
Formula | C24H31Cl2N5O7 |
IUPAC Name | (3s,7s,10s,13s,16r,17r,18s)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone |
Molecular Mass | 572.438 g·mol−1 |
Heat of Formation | -1324.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.82 ± 1.08 D |
Volume | 644.11 Å 3 |
Surface Area | 461.77 Å 2 |
HOMO Energy | -9.96 ± 0.55 eV |
LUMO Energy | -0.25 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | PMBVHCCVEPYDSN-WSVRAQSBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |