Geometry & MOs

Info

ID:	142786
PubChem CID:	53091356
Reduced:	N2S2O3C23H30 (1)
Stoich.:	A2B2C3D23E30 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-103.02
Dipole, Da:	8.28
IP(EA), eV:	-8.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCSCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations