Geometry & MOs

Info

ID:	54543
PubChem CID:	17388862
Reduced:	PO3N4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	317.98263
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	3.36
IP(EA), eV:	-8.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C(=P(C1=CC=CC=C1)(N2CCOCC2)N3CCOCC3)N=NC4=CC=CC=C4

DOS

IR

Vibrations