Geometry & MOs

Info

ID:

108511

PubChem CID:

50248448

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-248.54

Dipole, Da:

10.04

IP(EA), eV:

 -8.87(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations