Geometry & MOs

Info

ID:	36908
PubChem CID:	8014541
Reduced:	N2O4H17C22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	345.102137
ΔH_f, kcal/mol:	3.94
Dipole, Da:	17.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.857482
Charge, e:	-1

Chem-info

IUPAC name:

4-oxo-4-[4-[2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-4-yl]anilino]butanoate

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

DOS

IR

Vibrations