Geometry & MOs

Info

ID:

108564

PubChem CID:

50250156

Reduced:

ClF2O5N6C39H39 (1)

Stoich.:

AB2C5D6E39F39 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-235.3

Dipole, Da:

11.12

IP(EA), eV:

 -8.83(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamido-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=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations