Geometry & MOs

Info

ID:

113320

PubChem CID:

50439859

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-273.75

Dipole, Da:

4.6

IP(EA), eV:

 -9.06(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,5-difluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations