Geometry & MOs

Info

ID:	31884
PubChem CID:	3722591
Reduced:	ClNO6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	322.037191
ΔH_f, kcal/mol:	-256.17
Dipole, Da:	8.64
IP(EA), eV:	-9.47(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

DOS

IR

Vibrations