Geometry & MOs

Info

ID:

46751

PubChem CID:

10526959

Reduced:

O3N5C24H31 (1)

Stoich.:

A3B5C24D31 (1)

Weight, g/mol:

437.177313

ΔHf, kcal/mol:

2.55

Dipole, Da:

2.71

IP(EA), eV:

 -8.26(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,6S,6aS)-6-(1H-indol-3-ylmethyl)-1-methyl-5-(4-methylphenyl)sulfonylspiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c][1,2]oxazole-3,1'-cyclopropane]

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])/C=C(/CC3=CC=C(C=C3)OC)\N4CCCC4

DOS

IR

Vibrations