Geometry & MOs

Info

ID:

111249

PubChem CID:

50359836

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-217.34

Dipole, Da:

5.18

IP(EA), eV:

 -8.68(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)C

DOS

IR

Vibrations