Geometry & MOs

Info

ID:

108339

PubChem CID:

50242130

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-268.82

Dipole, Da:

5.32

IP(EA), eV:

 -8.93(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-fluoro-5-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)F

DOS

IR

Vibrations