Geometry & MOs

Info

ID:	168690
PubChem CID:	75003161
Reduced:	N3O7H27C35 (1)
Stoich.:	A3B7C27D35 (1)
Weight, g/mol:	424.224974
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	5.73
IP(EA), eV:	-8.63(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-4b,7,7,10a-tetramethyl-8-oxo-5,6,6a,9,10,12-hexahydrochrysen-2-yl) acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

DOS

IR

Vibrations