Geometry & MOs

Info

ID:	156751
PubChem CID:	56374157
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	3.98
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC2=COC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations