Geometry & MOs

Info

ID:

113933

PubChem CID:

50465095

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-227.07

Dipole, Da:

7.79

IP(EA), eV:

 -8.76(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)NC(=O)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations