Geometry & MOs

Info

ID:	43228
PubChem CID:	10319936
Reduced:	ClON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	420.266445
ΔH_f, kcal/mol:	40.98
Dipole, Da:	9.03
IP(EA), eV:	-8.31(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aS,6aS,6bS,14aS)-10,11-dihydroxy-2,4a,6a,6b,9,14a-hexamethyl-2,4,5,6,14,14b-hexahydro-1H-picen-3-one

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)NC\3=C4C=CC=CC4=NC(=O)/C3=C/5\NC6=C(N5)C=C(C=C6)Cl

DOS

IR

Vibrations