Geometry & MOs

Info

ID:

112554

PubChem CID:

50411465

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

673.251204

ΔHf, kcal/mol:

-237.22

Dipole, Da:

3.86

IP(EA), eV:

 -8.68(-0.22)

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-fluoro-3-[(2-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations