Geometry & MOs

Info

ID:	141574
PubChem CID:	52895129
Reduced:	ClSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	424.055149
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	6.59
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) (3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OC3=CC=CC=C3Cl)C

DOS

IR

Vibrations