Geometry & MOs

Info

ID:

176364

PubChem CID:

76037160

Reduced:

N4O5C30H32 (1)

Stoich.:

A4B5C30D32 (1)

Weight, g/mol:

618.436973

ΔHf, kcal/mol:

-13.98

Dipole, Da:

13.07

IP(EA), eV:

 -8.93(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[8-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)CN4CCC(CC4)OCC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations