Geometry & MOs

Info

ID:

108563

PubChem CID:

50250036

Reduced:

ClF2O5N6H35C37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-226.79

Dipole, Da:

5.84

IP(EA), eV:

 -8.82(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations