Geometry & MOs

Info

ID:	246735
PubChem CID:	103064753
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	6.69
IP(EA), eV:	-8.61(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-N-(thiolan-3-yl)isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=C1)C(=O)NC2CCSC2

DOS

IR

Vibrations