Geometry & MOs

Info

ID:

104163

PubChem CID:

50092296

Reduced:

NOC7H8 (6)

Stoich.:

ABC7D8 (6)

Weight, g/mol:

612.306018

ΔHf, kcal/mol:

-194.6

Dipole, Da:

6.19

IP(EA), eV:

 -8.47(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations