Geometry & MOs

Info

ID:	216202
PubChem CID:	85085884
Reduced:	NSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	241.052112
ΔH_f, kcal/mol:	-62.35
Dipole, Da:	6.52
IP(EA), eV:	-10.76(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-3-methylbut-3-enoic acid

Drug info:

PubChemData

Smile

CC(=CS(=O)(=O)C)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations