Geometry & MOs

Info

ID:	134221
PubChem CID:	51664214
Reduced:	SN3O3H23C27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	503.181826
ΔH_f, kcal/mol:	-5.19
Dipole, Da:	5.42
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-5-[[4-[3-(2,6-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylidene]-1-(furan-2-ylmethyl)-4,6-dioxopyrimidin-2-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)NCC4=CC=NC=C4)C5=CSC=C5

DOS

IR

Vibrations