Geometry & MOs

Info

ID:

96045

PubChem CID:

50018627

Reduced:

FO4N5C39H42 (1)

Stoich.:

AB4C5D39E42 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-159.73

Dipole, Da:

14.04

IP(EA), eV:

 -8.41(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations