Geometry & MOs

Info

ID:

107760

PubChem CID:

50217856

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-253.84

Dipole, Da:

6.89

IP(EA), eV:

 -8.45(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C)NC(=O)C(C)C

DOS

IR

Vibrations