Geometry & MOs

Info

ID:

97801

PubChem CID:

50035181

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

744.288317

ΔHf, kcal/mol:

-274.29

Dipole, Da:

7.29

IP(EA), eV:

 -8.49(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations