Geometry & MOs

Info

ID:	46443
PubChem CID:	10524430
Reduced:	PN4O5C16H31 (1)
Stoich.:	AB4C5D16E31 (1)
Weight, g/mol:	390.126086
ΔH_f, kcal/mol:	-274.88
Dipole, Da:	7.18
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-fluoro-2-pyrimidin-2-ylsulfonyloctanedioate

Drug info:

PubChemData

Smile

CC(C)OP(=O)(COC(CN1C=CC(=NC1=O)N)CN(C)C)OC(C)C

DOS

IR

Vibrations