Geometry & MOs

Info

ID:	132334
PubChem CID:	51344693
Reduced:	ClSF3N3O3H25C26 (1)
Stoich.:	ABC3D3E3F25G26 (1)
Weight, g/mol:	531.113393
ΔH_f, kcal/mol:	-217.64
Dipole, Da:	2.28
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations