Geometry & MOs

Info

ID:

164323

PubChem CID:

74382892

Reduced:

ClO4N5C32H34 (1)

Stoich.:

AB4C5D32E34 (1)

Weight, g/mol:

835.336333

ΔHf, kcal/mol:

-65.7

Dipole, Da:

2.85

IP(EA), eV:

 -8.7(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[[2-[[4-[(hexoxycarbonylhydrazinylidene)methyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCC(CC5)C(=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations