Geometry & MOs

Info

ID:

132609

PubChem CID:

51385856

Reduced:

ClSF3N3O4H8C11 (1)

Stoich.:

ABC3D3E4F8G11 (1)

Weight, g/mol:

395.159354

ΔHf, kcal/mol:

-231.77

Dipole, Da:

5.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766928

Charge, e:

 0

Chem-info

IUPAC name:

(7S)-5,7-bis(3,4-dimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1C(=O)[C@@](N=C1[O-])(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations