Geometry & MOs

Info

ID:	63020
PubChem CID:	26738043
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	392.213364
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	4.48
IP(EA), eV:	-9.23(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

DOS

IR

Vibrations