Geometry & MOs

Info

ID:	233915
PubChem CID:	92192434
Reduced:	SN2O4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	456.208279
ΔH_f, kcal/mol:	-172.88
Dipole, Da:	8.57
IP(EA), eV:	-9.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C=CC(=C1)C(=O)N[C@@H]2CCCC[C@H]2C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations