Geometry & MOs

Info

ID:	149921
PubChem CID:	53789603
Reduced:	ClSN2O3H27C34 (1)
Stoich.:	ABC2D3E27F34 (1)
Weight, g/mol:	296.071845
ΔH_f, kcal/mol:	2.16
Dipole, Da:	4.81
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-but-2-ynoxyphenyl)sulfonyl butanoate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)SC(C2=CC(=CC=C2)C(=O)O)C3=CC=CC(=C3)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

DOS

IR

Vibrations