Geometry & MOs

Info

ID:	274671
PubChem CID:	103810948
Reduced:	SN2O3C9H18 (1)
Stoich.:	AB2C3D9E18 (1)
Weight, g/mol:	302.049191
ΔH_f, kcal/mol:	-136.16
Dipole, Da:	4.49
IP(EA), eV:	-9.64(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCNCC(=O)N1CCCS(=O)(=O)CC1

DOS

IR

Vibrations