Geometry & MOs

Info

ID:	69923
PubChem CID:	47205759
Reduced:	ClOSN3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	298.109962
ΔH_f, kcal/mol:	49.77
Dipole, Da:	3.95
IP(EA), eV:	-8.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)C=CC(=O)NC3=CNN=C3)Cl

DOS

IR

Vibrations