Geometry & MOs

Info

ID:	984
PubChem CID:	3618
Reduced:	NSO4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	393.103479
ΔH_f, kcal/mol:	-89.49
Dipole, Da:	2.84
IP(EA), eV:	-9.46(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations