Geometry & MOs

Info

ID:	124718
PubChem CID:	50893840
Reduced:	ClSN3O8H12C15 (1)
Stoich.:	ABC3D8E12F15 (1)
Weight, g/mol:	451.041185
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	5.65
IP(EA), eV:	-10.26(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate

Drug info:

PubChemData

Smile

COC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations