Geometry & MOs

Info

ID:	150432
PubChem CID:	53790122
Reduced:	F3H17C18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	4.24
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethyl-2-oxopyrimidin-4-yl) 2,4,5-trimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC=CC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations