Geometry & MOs

Info

ID:	170518
PubChem CID:	75247016
Reduced:	SO4N5H15C17 (1)
Stoich.:	AB4C5D15E17 (1)
Weight, g/mol:	442.290322
ΔH_f, kcal/mol:	10.95
Dipole, Da:	4.42
IP(EA), eV:	-9.2(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-acetyl-7-[tert-butyl(dimethyl)silyl]oxy-10,11b-dimethyl-2,5,6,6a,6b,7,8,9,11,11a-decahydro-1H-benzo[a]fluoren-3-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(N2C(=N1)NNN2)C3=CC=C(C=C3)O)C(=O)C4=CC=CS4

DOS

IR

Vibrations