Geometry & MOs

Info

ID:	381676
PubChem CID:	134972475
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	367.081305
ΔH_f, kcal/mol:	-85.32
Dipole, Da:	4.05
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-[2-(methylamino)phenyl]sulfanyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=CC=C(C=C2)C3OCCO3

DOS

IR

Vibrations