Geometry & MOs

Info

ID:

117532

PubChem CID:

50606401

Reduced:

ClF2O4N5H34C36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

671.231075

ΔHf, kcal/mol:

-191.75

Dipole, Da:

5.33

IP(EA), eV:

 -8.78(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[4-fluoro-3-[(3-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F)Cl

DOS

IR

Vibrations