Geometry & MOs

Info

ID:	229333
PubChem CID:	87567429
Reduced:	BrNOC9H18 (1)
Stoich.:	ABCD9E18 (1)
Weight, g/mol:	387.050749
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	8.51
IP(EA), eV:	-9.41(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[2-chloro-6-[(2,3-difluorophenyl)methylsulfanyl]pyridin-4-yl]oxypropanoate

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CCCC(=O)C1.[Br-]

DOS

IR

Vibrations