Geometry & MOs

Info

ID:

110064

PubChem CID:

50307856

Reduced:

FO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

698.241974

ΔHf, kcal/mol:

-182.56

Dipole, Da:

10.78

IP(EA), eV:

 -8.82(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations