Geometry & MOs

Info

ID:	342438
PubChem CID:	127265593
Reduced:	SF2N2O3H12C15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	444.095535
ΔH_f, kcal/mol:	-149.68
Dipole, Da:	6.05
IP(EA), eV:	-10.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)S(=O)(=O)NC(=O)C=CC2=CN=CC=C2

DOS

IR

Vibrations