Geometry & MOs

Info

ID:	229644
PubChem CID:	87568288
Reduced:	SN3O4C9H13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	5.52
IP(EA), eV:	-9.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-4-methyl-3-prop-2-enylbenzenesulfonic acid

Drug info:

PubChemData

Smile

C1=C(NC(=O)N=C1)NC2[C@@H]([C@H]([C@H](O2)CO)O)S

DOS

IR

Vibrations