Geometry & MOs

Info

ID:	157537
PubChem CID:	56435611
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	451.319878
ΔH_f, kcal/mol:	-175.33
Dipole, Da:	4.0
IP(EA), eV:	-9.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)N2CCC(CC2)N(C)S(=O)(=O)C

DOS

IR

Vibrations