Geometry & MOs

Info

ID:	131031
PubChem CID:	51147452
Reduced:	NSO5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	3.49
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations