Geometry & MOs

Info

ID:	344137
PubChem CID:	127267313
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	6.05
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfonylanilino)-1-(1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CCO)CCC(C2)NC(=O)C3=C4C=CC=CN4C=C3

DOS

IR

Vibrations