Geometry & MOs

Info

ID:	132528
PubChem CID:	51375377
Reduced:	N2O3S3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	339.088688
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	9.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.067822
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)[N-]S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations