Geometry & MOs

Info

ID:	124089
PubChem CID:	50872228
Reduced:	N2S2O3H20C21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	432.063675
ΔH_f, kcal/mol:	-20.95
Dipole, Da:	4.57
IP(EA), eV:	-8.84(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-methoxyphenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CC=C3N4CCOCC4)/SC2=S

DOS

IR

Vibrations