Geometry & MOs

Info

ID:	406614
PubChem CID:	135078168
Reduced:	FO2H10C13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	382.054101
ΔH_f, kcal/mol:	-162.71
Dipole, Da:	7.49
IP(EA), eV:	-9.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(diphenylphosphinothioylamino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3COC(=O)C3C(=C(O2)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations