Geometry & MOs

Info

ID:	123607
PubChem CID:	50855581
Reduced:	OSN5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	344.076553
ΔH_f, kcal/mol:	23.72
Dipole, Da:	3.78
IP(EA), eV:	-8.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)/C=N/NC(=O)CSC2=NC(=CC(=N2)C)C

DOS

IR

Vibrations