[(3Ar,4R,6R,6Ar)-4-[[2-Chloroethyl(Nitroso)Carbamoyl]Amino]-2,2-Dimethyl-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-6-Yl]Methyl 4-Nitrobenzoate

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Formula C18H21ClN4O9
IUPAC Name [(3ar,4r,6r,6ar)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate
Molecular Mass 472.834 g·mol−1
Heat of Formation -1022.0 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 507.52 Å 3
Surface Area 440.53 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
InChIKey MOALKEWGOMIXKN-KBUPBQIOSA-N
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Elements H C N O Cl