Geometry & MOs

Info

ID:	229911
PubChem CID:	87569494
Reduced:	NS2O4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	323.0286
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	7.17
IP(EA), eV:	-9.12(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(2-oxo-3-phenylpropylidene)thiophen-2-ylidene]amino] methanesulfonate

Drug info:

PubChemData

Smile

CC(=O)/C(=C/1\C=C/C(=N\OS(=O)(=O)C)/S1)/C2=CC=CC=C2

DOS

IR

Vibrations