Geometry & MOs

Info

ID:	175459
PubChem CID:	75908169
Reduced:	SO3N4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	359.092436
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	6.86
IP(EA), eV:	-8.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations