Geometry & MOs

Info

ID:

110187

PubChem CID:

50315091

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-226.02

Dipole, Da:

3.07

IP(EA), eV:

 -8.27(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)NC(=O)C

DOS

IR

Vibrations