Geometry & MOs

Info

ID:	132426
PubChem CID:	51361402
Reduced:	OSN2C22H30 (1)
Stoich.:	ABC2D22E30 (1)
Weight, g/mol:	404.219889
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	3.45
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,5R,8S,9S,13R)-8-acetyloxy-2-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(CCSC)N(C)CCC2=CC=CC=C2

DOS

IR

Vibrations