Geometry & MOs

Info

ID:	185629
PubChem CID:	77322647
Reduced:	FN4O8C20H23 (1)
Stoich.:	AB4C8D20E23 (1)
Weight, g/mol:	430.344695
ΔH_f, kcal/mol:	-283.84
Dipole, Da:	6.93
IP(EA), eV:	-10.14(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-5a,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,6,7,8,9,10,11-decahydroindeno[4,5-c]isochromen-5-one

Drug info:

PubChemData

Smile

CC1C2C(=O)N(C(=NC2(CO1)C3=C(C=CC(=C3)[N+](=O)[O-])F)N(C(=O)O)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations