Geometry & MOs

Info

ID:	192091
PubChem CID:	78227241
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	-85.89
Dipole, Da:	5.62
IP(EA), eV:	-9.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-(1H-benzimidazol-1-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-ethoxyphenolate

Drug info:

PubChemData

Smile

CCC(=O)OC1=C2C(C3C(N=C2C4=CC=CC=C41)N(C(=O)N(C3=O)C)C)C5=CC=C(C=C5)C

DOS

IR

Vibrations