Geometry & MOs

Info

ID:	199304
PubChem CID:	79228056
Reduced:	SO2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	344.041998
ΔH_f, kcal/mol:	-50.16
Dipole, Da:	5.87
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylsulfanylethyl)-2-propylimidazole-4-sulfonyl chloride

Drug info:

PubChemData

Smile

CCC(CCSC1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations