Geometry & MOs

Info

ID:	172521
PubChem CID:	75520710
Reduced:	SN2O4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	300.068097
ΔH_f, kcal/mol:	-146.12
Dipole, Da:	6.6
IP(EA), eV:	-10.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)S(=O)(=O)NC(=O)CC1=C(ON=C1C)C

DOS

IR

Vibrations