Geometry & MOs

Info

ID:	57477
PubChem CID:	22396016
Reduced:	FN2S2O6C23H27 (1)
Stoich.:	AB2C2D6E23F27 (1)
Weight, g/mol:	498.078298
ΔH_f, kcal/mol:	-263.3
Dipole, Da:	3.64
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2N(CCS2)S(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations