Geometry & MOs

Info

ID:	233914
PubChem CID:	92192427
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	456.208279
ΔH_f, kcal/mol:	-1.28
Dipole, Da:	3.74
IP(EA), eV:	-8.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butanoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-4-(4-methylphenyl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)N(CCOC)[C@H](C)C2=CN=CC=C2)C

DOS

IR

Vibrations