Geometry & MOs

Info

ID:	395113
PubChem CID:	135024681
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	328.026626
ΔH_f, kcal/mol:	-98.63
Dipole, Da:	5.11
IP(EA), eV:	-9.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(2-nitrophenyl)-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations