Geometry & MOs

Info

ID:

112242

PubChem CID:

50399819

Reduced:

F3O5N6C35H39 (1)

Stoich.:

A3B5C6D35E39 (1)

Weight, g/mol:

666.277753

ΔHf, kcal/mol:

-309.3

Dipole, Da:

7.06

IP(EA), eV:

 -8.96(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-acetamido-2-fluoroanilino)-3-oxopropyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations