Geometry & MOs

Info

ID:

93057

PubChem CID:

49991206

Reduced:

O4N5C37H51 (1)

Stoich.:

A4B5C37D51 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-193.03

Dipole, Da:

4.45

IP(EA), eV:

 -8.88(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[(2-fluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations