Geometry & MOs

Info

ID:

114612

PubChem CID:

50489723

Reduced:

F4O4N5C35H37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-333.71

Dipole, Da:

9.82

IP(EA), eV:

 -8.97(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(F)(F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations