Geometry & MOs

Info

ID:	217892
PubChem CID:	85088542
Reduced:	ON3F6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	409.105605
ΔH_f, kcal/mol:	-323.05
Dipole, Da:	3.48
IP(EA), eV:	-8.84(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-4-methylsulfanyl-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CN(C)CCN1CC=CC1C(=O)NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations