Geometry & MOs

Info

ID:

109381

PubChem CID:

50282428

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-210.02

Dipole, Da:

8.21

IP(EA), eV:

 -8.61(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations