Geometry & MOs

Info

ID:	302891
PubChem CID:	124398093
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	423.141676
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	0.86
IP(EA), eV:	-8.46(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

COC[C@@H](CN1CCN(CC1)CC2=CC=CC=C2)O

DOS

IR

Vibrations