Geometry & MOs

Info

ID:

110124

PubChem CID:

50311499

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-231.3

Dipole, Da:

10.3

IP(EA), eV:

 -8.44(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-methoxyanilino)-3-oxopropyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5F)C)OC

DOS

IR

Vibrations