Geometry & MOs

Info

ID:	302020
PubChem CID:	123110630
Reduced:	ClNS2O6C26H26 (1)
Stoich.:	ABC2D6E26F26 (1)
Weight, g/mol:	298.087495
ΔH_f, kcal/mol:	-206.82
Dipole, Da:	8.82
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[(2-methoxy-2-oxoethyl)sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CS(=O)CC3=CC(=CC=C3)C(=O)OC(C)C

DOS

IR

Vibrations