Geometry & MOs

Info

ID:	367655
PubChem CID:	127325184
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	0.68
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(CC(=O)NCC1(CCSC1)N2CCOCC2)C3=CN=CC=C3

DOS

IR

Vibrations