Geometry & MOs

Info

ID:

103949

PubChem CID:

50085965

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-194.44

Dipole, Da:

7.87

IP(EA), eV:

 -9.04(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations