Geometry & MOs

Info

ID:

110730

PubChem CID:

50338166

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-166.52

Dipole, Da:

5.75

IP(EA), eV:

 -9.06(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations