Geometry & MOs

Info

ID:

97662

PubChem CID:

50033547

Reduced:

O5N6C38H40 (1)

Stoich.:

A5B6C38D40 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-133.23

Dipole, Da:

10.41

IP(EA), eV:

 -8.55(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations