Geometry & MOs

Info

ID:

108857

PubChem CID:

50261540

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

668.232552

ΔHf, kcal/mol:

-283.51

Dipole, Da:

4.19

IP(EA), eV:

 -9.04(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoyl-3-chloroanilino)-3-oxopropyl]-1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C)F

DOS

IR

Vibrations