(8S,11R,13S,14S,17R)-17-Hydroxy-13-Methyl-11-[4-[[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Methyl]Phenyl]-17-Prop-1-Ynyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One

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Formula C34H34N4O5
IUPAC Name (8s,11r,13s,14s,17r)-17-hydroxy-13-methyl-11-[4-[[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]methyl]phenyl]-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 578.658 g·mol−1
Heat of Formation 222.1 ± 16.7 kJ·mol−1
Dipole Moment 8.90 ± 1.08 D
Volume 678.5 Å 3
Surface Area 549.23 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
InChIKey XSTXMTNVBWGOOW-SYSRPTNISA-N
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