Geometry & MOs

Info

ID:

113682

PubChem CID:

50454560

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-284.5

Dipole, Da:

1.68

IP(EA), eV:

 -8.74(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations