Geometry & MOs

Info

ID:	362414
PubChem CID:	127307759
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	397.149384
ΔH_f, kcal/mol:	-190.34
Dipole, Da:	7.16
IP(EA), eV:	-9.65(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CCCN(CC1CCCCO1)C(=O)CN2CC(=O)NC2=O

DOS

IR

Vibrations