Geometry & MOs

Info

ID:	205933
PubChem CID:	80179297
Reduced:	NF2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	-216.83
Dipole, Da:	3.58
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-amine

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations