Geometry & MOs

Info

ID:

113142

PubChem CID:

50432423

Reduced:

FN3O3C17H19 (2)

Stoich.:

AB3C3D17E19 (2)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-291.34

Dipole, Da:

5.04

IP(EA), eV:

 -8.56(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC)OC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations