Geometry & MOs

Info

ID:	132975
PubChem CID:	51456092
Reduced:	OS2N5C9H11 (1)
Stoich.:	AB2C5D9E11 (1)
Weight, g/mol:	511.0576
ΔH_f, kcal/mol:	45.14
Dipole, Da:	3.14
IP(EA), eV:	-9.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-1-(2,3-dichlorophenyl)-5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]methylidene]-4,6-dioxopyrimidin-2-olate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC=CS1)SC2=NN=CN2C

DOS

IR

Vibrations