Geometry & MOs

Info

ID:	202536
PubChem CID:	79682767
Reduced:	ClNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-137.37
Dipole, Da:	4.11
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroxypropylsulfanyl)-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSCC(CO)O)Cl

DOS

IR

Vibrations