Geometry & MOs

Info

ID:	57495
PubChem CID:	22396068
Reduced:	SN2Cl3O5H19C20 (1)
Stoich.:	AB2C3D5E19F20 (1)
Weight, g/mol:	498.143628
ΔH_f, kcal/mol:	-179.34
Dipole, Da:	6.48
IP(EA), eV:	-9.44(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-(trifluoromethyl)phenyl]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)C3=C(C=CC(=C3)Cl)CC(C(=O)O)N

DOS

IR

Vibrations