Geometry & MOs

Info

ID:	57429
PubChem CID:	22395906
Reduced:	SCl2N2O5C20H20 (1)
Stoich.:	AB2C2D5E20F20 (1)
Weight, g/mol:	472.203193
ΔH_f, kcal/mol:	-182.3
Dipole, Da:	4.79
IP(EA), eV:	-9.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations