Geometry & MOs

Info

ID:	341317
PubChem CID:	127264010
Reduced:	ClNOF2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	202.004828
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	4.81
IP(EA), eV:	-9.94(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-methoxycarbonyl-1,2-thiazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C=CCC(C(=O)C1=C(C=CC(=C1)F)F)N.Cl

DOS

IR

Vibrations