Geometry & MOs

Info

ID:	437789
PubChem CID:	135227074
Reduced:	NO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	310.91825
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	19.93
IP(EA), eV:	-7.87(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(1-chlorocyclopropyl)-imino-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C2CC3(C(C1OC3=O)O2)C#N

DOS

IR

Vibrations