Geometry & MOs

Info

ID:

104800

PubChem CID:

50105575

Reduced:

F3N6O6C40H41 (1)

Stoich.:

A3B6C6D40E41 (1)

Weight, g/mol:

666.277753

ΔHf, kcal/mol:

-311.84

Dipole, Da:

13.25

IP(EA), eV:

 -8.91(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations