Geometry & MOs

Info

ID:

97480

PubChem CID:

50032069

Reduced:

ClF2O4N5C36H40 (1)

Stoich.:

AB2C4D5E36F40 (1)

Weight, g/mol:

687.242389

ΔHf, kcal/mol:

-232.32

Dipole, Da:

7.76

IP(EA), eV:

 -8.96(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations