Geometry & MOs

Info

ID:

116472

PubChem CID:

50561902

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

527.229932

ΔHf, kcal/mol:

-230.09

Dipole, Da:

7.02

IP(EA), eV:

 -9.06(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations