Geometry & MOs

Info

ID:	69152
PubChem CID:	46525587
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	407.105211
ΔH_f, kcal/mol:	-8.24
Dipole, Da:	2.37
IP(EA), eV:	-8.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3-methyl-1,2-oxazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations