Geometry & MOs

Info

ID:

108890

PubChem CID:

50263656

Reduced:

F4O4N5C34H37 (1)

Stoich.:

A4B4C5D34E37 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-302.63

Dipole, Da:

6.04

IP(EA), eV:

 -8.91(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations