Geometry & MOs

Info

ID:	231200
PubChem CID:	87572956
Reduced:	S2F3O5C37H41 (1)
Stoich.:	A2B3C5D37E41 (1)
Weight, g/mol:	172.073559
ΔH_f, kcal/mol:	-270.54
Dipole, Da:	13.39
IP(EA), eV:	-9.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;ethene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)OCCOC=C.C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-]

DOS

IR

Vibrations