Geometry & MOs

Info

ID:	30006
PubChem CID:	838851
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	1.63
Dipole, Da:	3.69
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-benzyl-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)[C@@H]2NN=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations