Geometry & MOs

Info

ID:	193821
PubChem CID:	78442924
Reduced:	O3N6C15H25 (1)
Stoich.:	A3B6C15D25 (1)
Weight, g/mol:	276.044287
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752003
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)C)N1C2C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C

DOS

IR

Vibrations