Geometry & MOs

Info

ID:	57479
PubChem CID:	22396019
Reduced:	FCl2N2S2O5H17C18 (1)
Stoich.:	AB2C2D2E5F17G18 (1)
Weight, g/mol:	490.177372
ΔH_f, kcal/mol:	-210.54
Dipole, Da:	5.11
IP(EA), eV:	-9.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=C(S2)Cl)Cl)C(=O)NC(CC3=CC(=CC=C3)F)C(=O)O

DOS

IR

Vibrations