N-[(5Ar,5Bs,7As,8S,10As,10Br)-5A,7A-Dimethyl-2-Oxo-2,3,4,5,5A,5B,6,7,7A,8,9,10,10A,10B,11,12-Hexadecahydrocyclopenta[5,6]Naphtho[1,2-D]Azepin-8-Yl]Acetamide

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Formula C21H32N2O2
IUPAC Name n-[(1s,3as,3br,10ar,10bs,12as)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1h-indeno[4,5-i][3]benzazepin-1-yl]acetamide
Molecular Mass 344.491 g·mol−1
Heat of Formation -494.9 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 441.73 Å 3
Surface Area 349.59 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 17-aahao
  • 17-acetamido-3-aza-a-homo-4-androsten-4-one
CAS Number(s)
  • 93176-75-1
InChIKey CMNSOYVCPQTEBS-ZKHIMWLXSA-N
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