Geometry & MOs

Info

ID:

97610

PubChem CID:

50033043

Reduced:

F2N5O5C38H39 (1)

Stoich.:

A2B5C5D38E39 (1)

Weight, g/mol:

687.266854

ΔHf, kcal/mol:

-220.72

Dipole, Da:

8.3

IP(EA), eV:

 -8.33(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations