Geometry & MOs

Info

ID:

112542

PubChem CID:

50410919

Reduced:

O5N6C39H56 (1)

Stoich.:

A5B6C39D56 (1)

Weight, g/mol:

673.251204

ΔHf, kcal/mol:

-236.48

Dipole, Da:

5.79

IP(EA), eV:

 -8.68(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)NC4CCCCC4C)C)C

DOS

IR

Vibrations