Geometry & MOs

Info

ID:	124097
PubChem CID:	50872547
Reduced:	BrSN2O4H17C23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	420.063675
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	0.6
IP(EA), eV:	-9.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)C3=CC=CC=C3)Br)OCC4=CC=NC=C4

DOS

IR

Vibrations