Geometry & MOs

Info

ID:	158374
PubChem CID:	56463533
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	430.159614
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	5.49
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CN(N=C1C2=CC(=C(C=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations