Geometry & MOs

Info

ID:	5589
PubChem CID:	13366
Reduced:	ClNOSC5H9 (2)
Stoich.:	ABCDE5F9 (2)
Weight, g/mol:	332.018676
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	1.48
IP(EA), eV:	-9.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroethylsulfanyl)-N-[2-[[2-(2-chloroethylsulfanyl)acetyl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

C(CNC(=O)CSCCCl)NC(=O)CSCCCl

DOS

IR

Vibrations