Geometry & MOs

Info

ID:

105126

PubChem CID:

50106436

Reduced:

N3O3C15H19 (2)

Stoich.:

A3B3C15D19 (2)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-228.43

Dipole, Da:

9.86

IP(EA), eV:

 -9.23(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations