Geometry & MOs

Info

ID:	168515
PubChem CID:	74981946
Reduced:	SO3N5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	558.382143
ΔH_f, kcal/mol:	0.91
Dipole, Da:	8.56
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-8a-(piperidine-1-carbonyl)-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C1CCCC1)C(=O)C(CC#CC2=CN=C(N=C2)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations