Geometry & MOs

Info

ID:	29417
PubChem CID:	833680
Reduced:	NOH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	286.034689
ΔH_f, kcal/mol:	38.99
Dipole, Da:	2.32
IP(EA), eV:	-9.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-4-cyano-3H-pyrido[2,1-b][1,3]benzothiazole-2-carbothioamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)C3=CC=CC=C3)C=O

DOS

IR

Vibrations