Geometry & MOs

Info

ID:

100973

PubChem CID:

50064228

Reduced:

FN5O6C33H38 (1)

Stoich.:

AB5C6D33E38 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-238.5

Dipole, Da:

7.23

IP(EA), eV:

 -8.75(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations