Geometry & MOs

Info

ID:	176935
PubChem CID:	76114757
Reduced:	S2N5O5C17H21 (1)
Stoich.:	A2B5C5D17E21 (1)
Weight, g/mol:	296.214016
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	2.84
IP(EA), eV:	-9.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethylidene-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N

DOS

IR

Vibrations