Geometry & MOs

Info

ID:	225808
PubChem CID:	87226364
Reduced:	SSiN6O9C47H58 (1)
Stoich.:	ABC6D9E47F58 (1)
Weight, g/mol:	206.097666
ΔH_f, kcal/mol:	-331.52
Dipole, Da:	5.15
IP(EA), eV:	-8.96(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-non-2-ene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)NCCCCCCNCC(C5=C6C(=C(C=C5)O)NC(=O)CO6)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations