Geometry & MOs

Info

ID:	30000
PubChem CID:	838809
Reduced:	O3H14C20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-14.89
Dipole, Da:	2.49
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C(=CC3=CC=CO3)C(=O)C4=CC=CC=C4O2

DOS

IR

Vibrations