Geometry & MOs

Info

ID:	196320
PubChem CID:	78811284
Reduced:	NSF2O4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-272.36
Dipole, Da:	5.2
IP(EA), eV:	-9.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylcyclohexyl) 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate

Drug info:

PubChemData

Smile

CC1CCCC(C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations