Geometry & MOs

Info

ID:	57436
PubChem CID:	22395922
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	498.078298
ΔH_f, kcal/mol:	-203.03
Dipole, Da:	9.75
IP(EA), eV:	-9.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CCCN3

DOS

IR

Vibrations