Geometry & MOs

Info

ID:

107565

PubChem CID:

50208820

Reduced:

N3O3C18H25 (2)

Stoich.:

A3B3C18D25 (2)

Weight, g/mol:

676.394833

ΔHf, kcal/mol:

-251.03

Dipole, Da:

12.21

IP(EA), eV:

 -8.68(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC)C

DOS

IR

Vibrations