Geometry & MOs

Info

ID:

106069

PubChem CID:

50148364

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-214.29

Dipole, Da:

11.1

IP(EA), eV:

 -9.09(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NCCC)C

DOS

IR

Vibrations