Geometry & MOs

Info

ID:

107927

PubChem CID:

50224357

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-224.5

Dipole, Da:

9.84

IP(EA), eV:

 -9.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(CC)CC)C

DOS

IR

Vibrations