Geometry & MOs

Info

ID:	302771
PubChem CID:	124395066
Reduced:	SO3N5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	437.175084
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	6.9
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-1-(4-ethoxyphenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CC=C)[C@@H](C)NC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations