Geometry & MOs

Info

ID:	142783
PubChem CID:	53091288
Reduced:	FSN2O3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-66.03
Dipole, Da:	4.24
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(ON=C1C2=CC=C(C=C2)F)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations