Geometry & MOs

Info

ID:

96047

PubChem CID:

50018642

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-250.34

Dipole, Da:

4.91

IP(EA), eV:

 -8.88(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations