Geometry & MOs

Info

ID:

1397

PubChem CID:

4319

Reduced:

N2O3C19H24 (2)

Stoich.:

A2B3C19D24 (2)

Weight, g/mol:

656.357385

ΔHf, kcal/mol:

-205.38

Dipole, Da:

4.29

IP(EA), eV:

 -8.7(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-1-[4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations