Geometry & MOs

Info

ID:	1356
PubChem CID:	4229
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	6.55
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO

DOS

IR

Vibrations