Geometry & MOs

Info

ID:	231076
PubChem CID:	87572579
Reduced:	S2O4F9C30H31 (1)
Stoich.:	A2B4C9D30E31 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-558.55
Dipole, Da:	11.77
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[oxo(diphenyl)-lambda6-sulfanylidene]amino]methyl]pentanedioic acid

Drug info:

PubChemData

Smile

CCCC(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)F.CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations