Geometry & MOs

Info

ID:	190156
PubChem CID:	77959945
Reduced:	N2O5C31H36 (1)
Stoich.:	A2B5C31D36 (1)
Weight, g/mol:	468.360345
ΔH_f, kcal/mol:	-188.99
Dipole, Da:	4.66
IP(EA), eV:	-8.73(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-2,3,4,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydro-1H-picen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=CC(=C1)CC2=C(C=C(C=C2)NC(=O)C)CN(C(C)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations