Geometry & MOs

Info

ID:

93368

PubChem CID:

49994184

Reduced:

O4N5C38H47 (1)

Stoich.:

A4B5C38D47 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-154.02

Dipole, Da:

3.24

IP(EA), eV:

 -8.14(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[4-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)C)C

DOS

IR

Vibrations