Geometry & MOs

Info

ID:

150178

PubChem CID:

53789865

Reduced:

Cl2N3O3C21H27 (1)

Stoich.:

A2B3C3D21E27 (1)

Weight, g/mol:

634.21401

ΔHf, kcal/mol:

-113.78

Dipole, Da:

1.92

IP(EA), eV:

 -8.51(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoropyridin-4-yl]oxy-3-(3-methyl-2,4-dihydroimidazol-2-yl)phenyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C(C)NC1=CC(=C(C=C1Cl)Cl)N2C(=CC(=C2O)C(=C)C)O

DOS

IR

Vibrations