Geometry & MOs

Info

ID:	390671
PubChem CID:	135000290
Reduced:	ClOSF3N3H5C11 (1)
Stoich.:	ABCD3E3F5G11 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	6.47
IP(EA), eV:	-9.66(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopropyl-2-ethoxy-2-oxoethylidene)-ethyl-(4-methoxyphenyl)azanium;benzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1NC2=C(C(=O)NS2)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations