Geometry & MOs

Info

ID:

113154

PubChem CID:

50432904

Reduced:

N3O3C19H27 (2)

Stoich.:

A3B3C19D27 (2)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-263.02

Dipole, Da:

7.41

IP(EA), eV:

 -8.84(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)C

DOS

IR

Vibrations