Geometry & MOs

Info

ID:	278063
PubChem CID:	103833087
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	3.79
IP(EA), eV:	-8.39(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)CC1=CC=CC=C1N

DOS

IR

Vibrations