Geometry & MOs

Info

ID:	165713
PubChem CID:	74586166
Reduced:	ClN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	287.05241
ΔH_f, kcal/mol:	-126.42
Dipole, Da:	2.81
IP(EA), eV:	-8.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)NC(=O)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations