Geometry & MOs

Info

ID:

110094

PubChem CID:

50309432

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

612.306018

ΔHf, kcal/mol:

-196.41

Dipole, Da:

7.66

IP(EA), eV:

 -8.9(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[2-[2-methyl-4-[(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)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)N

DOS

IR

Vibrations