Geometry & MOs

Info

ID:

112367

PubChem CID:

50404555

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-222.54

Dipole, Da:

4.18

IP(EA), eV:

 -8.95(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations