Geometry & MOs

Info

ID:	284955
PubChem CID:	104085576
Reduced:	ClNOS2C11H18 (1)
Stoich.:	ABCD2E11F18 (1)
Weight, g/mol:	274.054277
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	2.45
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-2-chlorophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCC(C(C1=CC=C(S1)Cl)SC(C)CO)N

DOS

IR

Vibrations