Geometry & MOs

Info

ID:	302494
PubChem CID:	124361960
Reduced:	SN5O5C26H31 (1)
Stoich.:	AB5C5D26E31 (1)
Weight, g/mol:	360.130777
ΔH_f, kcal/mol:	-119.16
Dipole, Da:	9.59
IP(EA), eV:	-8.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Drug info:

PubChemData

Smile

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N[C@H](C)[C@H](C4=CC=CC=C4)O)OCC)C

DOS

IR

Vibrations