Geometry & MOs

Info

ID:	181810
PubChem CID:	76797284
Reduced:	O3S3N4H14C18 (1)
Stoich.:	A3B3C4D14E18 (1)
Weight, g/mol:	415.110296
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	8.35
IP(EA), eV:	-8.76(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-methyl-5-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C=C2C3=C(C(=O)N(C2=O)C)SC(=N3)NC(=O)C)C4=CSC=C4

DOS

IR

Vibrations