Geometry & MOs

Info

ID:	58353
PubChem CID:	24697956
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	296.043105
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	3.67
IP(EA), eV:	-9.3(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,5-difluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1(CCCCC1)N

DOS

IR

Vibrations