Geometry & MOs

Info

ID:	129360
PubChem CID:	51072379
Reduced:	NSO3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	331.986024
ΔH_f, kcal/mol:	-143.36
Dipole, Da:	4.63
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations