Geometry & MOs

Info

ID:	224772
PubChem CID:	85350399
Reduced:	S2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	357.080157
ΔH_f, kcal/mol:	-149.6
Dipole, Da:	1.97
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorobut-2-ynyl)-N-[[3-(methoxymethyl)oxiran-2-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCSC(C1C2C(COC(O2)C3=CC=CC=C3)OCO1)SCC

DOS

IR

Vibrations