Geometry & MOs

Info

ID:

112977

PubChem CID:

50427817

Reduced:

FN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-249.42

Dipole, Da:

11.54

IP(EA), eV:

 -8.48(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations