Geometry & MOs

Info

ID:

329212

PubChem CID:

126732013

Reduced:

ClO3N5C33H42 (1)

Stoich.:

AB3C5D33E42 (1)

Weight, g/mol:

544.204588

ΔHf, kcal/mol:

-74.52

Dipole, Da:

8.29

IP(EA), eV:

 -8.51(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-ethoxy-7-formamido-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(CC(C1)OC2=CC3=C(C(=C2)Cl)N(C(=N3)NC(=O)C4=CC(=NC=C4)C)[C@@H]5CCCCN(C5)C(=O)C=C)C

DOS

IR

Vibrations