Geometry & MOs

Info

ID:	338168
PubChem CID:	127258860
Reduced:	SN2O4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	416.148455
ΔH_f, kcal/mol:	-170.27
Dipole, Da:	4.55
IP(EA), eV:	-9.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[2-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2C(=O)NC(C(=O)N2CS1)CCC(=O)O

DOS

IR

Vibrations