Geometry & MOs

Info

ID:	200510
PubChem CID:	79402178
Reduced:	SN3O3C10H15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	273.057198
ΔH_f, kcal/mol:	-113.42
Dipole, Da:	4.6
IP(EA), eV:	-9.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(cyanomethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)O)NC(=O)[C@@H](C(C)C)N

DOS

IR

Vibrations