Geometry & MOs

Info

ID:	427506
PubChem CID:	135159437
Reduced:	NO2H43C50 (1)
Stoich.:	AB2C43D50 (1)
Weight, g/mol:	217.001992
ΔH_f, kcal/mol:	99.8
Dipole, Da:	3.29
IP(EA), eV:	-7.74(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-[1]benzothiolo[3,2-b]pyridine-7-thione

Drug info:

PubChemData

Smile

CC1CC=C(C2=C1N(C3=CC=CC=C32)C4=CCCC=C4)C5=CC6=C(C=C5)OC7=C(C68C9=C(CCC=C9)OC1C8=CC=CC1)CCC(=C7)C1=CC=CC=C1

DOS

IR

Vibrations