Geometry & MOs

Info

ID:

328237

PubChem CID:

126700331

Reduced:

SF3N4O4H41C44 (1)

Stoich.:

AB3C4D4E41F44 (1)

Weight, g/mol:

692.228026

ΔHf, kcal/mol:

-152.04

Dipole, Da:

1.75

IP(EA), eV:

 -7.95(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[5-(3,4-dimethoxy-N-methylanilino)-1-(4-fluoro-3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OC)C2=C(N=C(N2C3=CC=C(C=C3)F)SCC4=C(C=CC=C4F)F)CCCCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations