Geometry & MOs

Info

ID:	147852
PubChem CID:	53787510
Reduced:	ClS3N5O9C15H18 (1)
Stoich.:	AB3C5D9E15F18 (1)
Weight, g/mol:	345.112484
ΔH_f, kcal/mol:	-274.83
Dipole, Da:	4.8
IP(EA), eV:	-9.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-cyano-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoate

Drug info:

PubChemData

Smile

CC(=O)OCCSC1C(C(=O)N1S(=O)(=O)O)NC(=O)C=NOCC2=CSC(=N2)NC(=O)CCl

DOS

IR

Vibrations