Geometry & MOs

Info

ID:

113416

PubChem CID:

50444182

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-191.88

Dipole, Da:

8.11

IP(EA), eV:

 -8.81(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations