Geometry & MOs

Info

ID:

387507

PubChem CID:

134985628

Reduced:

N2O11C31H32 (1)

Stoich.:

A2B11C31D32 (1)

Weight, g/mol:

356.155849

ΔHf, kcal/mol:

-228.54

Dipole, Da:

5.43

IP(EA), eV:

 -9.78(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-2-benzyl-4-[(4-methylphenyl)methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2,5]thiadiazole 1,1-dioxide

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)O[C@@H]2[C@H]([C@H]3[C@@H](OC[C@H](O3)C4=CC=CC=C4)O[C@@H]2OC)OCC5=CC=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations