Geometry & MOs

Info

ID:	307189
PubChem CID:	125275686
Reduced:	S2N3O4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	369.081698
ΔH_f, kcal/mol:	-88.03
Dipole, Da:	4.72
IP(EA), eV:	-9.2(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-ethylsulfonyl-2H-1,3,4-thiadiazol-5-ylidene]-4-(2-methylpropoxy)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)[C@@H]1N=NC(=NC(=O)C2=CC=C(C=C2)OCC(C)C)S1

DOS

IR

Vibrations