Geometry & MOs

Info

ID:	236089
PubChem CID:	92711493
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-156.6
Dipole, Da:	1.81
IP(EA), eV:	-9.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3[C@@H]2CC(=O)O)C

DOS

IR

Vibrations