Geometry & MOs

Info

ID:	85358
PubChem CID:	49874302
Reduced:	S3O5H18C19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	409.109148
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	7.3
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptanoic acid;phenylmercury

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)[C@H]2[C@@H]3C=C[C@]([C@H]2S(=O)(=O)C4=CC=CC=C4)(O3)CS

DOS

IR

Vibrations