Geometry & MOs

Info

ID:	164966
PubChem CID:	74478504
Reduced:	N2S2O5C18H22 (1)
Stoich.:	A2B2C5D18E22 (1)
Weight, g/mol:	193.077265
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	5.59
IP(EA), eV:	-9.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaniumyl-3-butylsulfinylpropanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2NCC3=CC=NC=C3

DOS

IR

Vibrations