Geometry & MOs

Info

ID:	243341
PubChem CID:	99218744
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	431.027745
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	2.18
IP(EA), eV:	-8.16(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-1,3-thiazole-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC2=C(CCN(C2)C(=O)/C=C/C3=CC(=C(C=C3OC)OC)OC)C=C1

DOS

IR

Vibrations