Geometry & MOs

Info

ID:	208702
PubChem CID:	80568697
Reduced:	NOSC6H9 (2)
Stoich.:	ABCD6E9 (2)
Weight, g/mol:	282.04967
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	1.77
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)N2CC(SC(C2)C)C

DOS

IR

Vibrations