Geometry & MOs

Info

ID:

430043

PubChem CID:

135170100

Reduced:

SN4O5C42H49 (1)

Stoich.:

AB4C5D42E49 (1)

Weight, g/mol:

288.101111

ΔHf, kcal/mol:

-125.42

Dipole, Da:

11.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.486422

Charge, e:

 0

Chem-info

IUPAC name:

5-(1,3-dihydrobenzimidazol-2-ylidenemethylimino)quinolin-6-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCCNC(=O)C1=CC=C(C=C1)/C(=C\C=C/2\C(C3=C(N2C)C=CC(=C3)S(=O)(=O)O)(C)C)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)C

DOS

IR

Vibrations