Geometry & MOs

Info

ID:	61682
PubChem CID:	26711771
Reduced:	S2N3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	366.197714
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	4.2
IP(EA), eV:	-8.63(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-4-[(2,5-dimethylphenyl)sulfonylamino]butanamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1CCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations