Geometry & MOs

Info

ID:

105933

PubChem CID:

50143308

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-162.08

Dipole, Da:

8.36

IP(EA), eV:

 -8.84(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,6-dimethylanilino)-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)NC(=O)C(C)C

DOS

IR

Vibrations