Geometry & MOs

Info

ID:	149043
PubChem CID:	53788714
Reduced:	N4O6C17H20 (1)
Stoich.:	A4B6C17D20 (1)
Weight, g/mol:	246.98184
ΔH_f, kcal/mol:	-200.82
Dipole, Da:	6.14
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)oxyacetonitrile

Drug info:

PubChemData

Smile

CC1C2=C(C=CC(=C2OC)OCCOC(=O)C)NC3=NC(=O)C(N13)C(=O)N

DOS

IR

Vibrations