Geometry & MOs

Info

ID:	271955
PubChem CID:	103705484
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-22.55
Dipole, Da:	3.43
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxybutan-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)CSC2=NC=CN2)Cl

DOS

IR

Vibrations