Geometry & MOs

Info

ID:	63021
PubChem CID:	26738046
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	392.213364
ΔH_f, kcal/mol:	-147.83
Dipole, Da:	7.44
IP(EA), eV:	-9.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations