Diethyl {4-(1-Aziridinyl)-1-[(2-Hydroxyethyl)Amino]-2,5-Dioxo-3-Cyclohexene-1,3-Diyl}Biscarbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H24N4O7
IUPAC Name ethyl n-[(1r)-4-(aziridin-1-yl)-3-(ethoxycarbonylamino)-1-(2-hydroxyethylamino)-2,5-dioxo-cyclohex-3-en-1-yl]carbamate
Molecular Mass 384.384 g·mol−1
Heat of Formation -972.5 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 442.51 Å 3
Surface Area 396.64 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey VEQRQPLZMZHEAZ-MRXNPFEDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N