Geometry & MOs

Info

ID:	363407
PubChem CID:	127310945
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	6.42
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC3(CCCCC3)N4CCSCC4

DOS

IR

Vibrations