Geometry & MOs

Info

ID:	425093
PubChem CID:	135125155
Reduced:	SF2O3N4C25H28 (1)
Stoich.:	AB2C3D4E25F28 (1)
Weight, g/mol:	299.95712
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	10.22
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-difluoro-2-iodoethyl)-5-methoxypyrazine

Drug info:

PubChemData

Smile

CC[C@@H](C#CC)OC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)C(C(=N3)N)(C)C)C)/F

DOS

IR

Vibrations