Geometry & MOs

Info

ID:

113105

PubChem CID:

50431173

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-284.31

Dipole, Da:

5.88

IP(EA), eV:

 -8.89(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,5-difluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=C(C=C4)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations