Geometry & MOs

Info

ID:	256748
PubChem CID:	103141096
Reduced:	SN3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	306.00676
ΔH_f, kcal/mol:	94.09
Dipole, Da:	5.03
IP(EA), eV:	-8.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)SC3=C4C=NC=CC4=C(C=C3)N

DOS

IR

Vibrations