Geometry & MOs

Info

ID:	57462
PubChem CID:	22395983
Reduced:	ClSN2O5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	523.214092
ΔH_f, kcal/mol:	-172.91
Dipole, Da:	7.26
IP(EA), eV:	-9.51(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[5-(dimethylamino)naphthalen-1-yl]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)C(=O)NC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations