Geometry & MOs

Info

ID:

110901

PubChem CID:

50343742

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

648.399919

ΔHf, kcal/mol:

-215.56

Dipole, Da:

3.56

IP(EA), eV:

 -8.91(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(diethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations