Geometry & MOs

Info

ID:	166208
PubChem CID:	74650738
Reduced:	SN2O2H24C26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	381.15628
ΔH_f, kcal/mol:	1.93
Dipole, Da:	7.58
IP(EA), eV:	-8.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1,3-dimethyl-2,4-dioxopyrimidin-1-ium-5-ylidene)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C=CC(=O)N3CCC4=C(C3C5=CC=CC=C5)C=CS4

DOS

IR

Vibrations