Geometry & MOs

Info

ID:	390836
PubChem CID:	135001171
Reduced:	PO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	376.99103
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	1.93
IP(EA), eV:	-9.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1R)-1-(3-bromophenyl)-2-nitroethyl]-2-fluoropropanedioate

Drug info:

PubChemData

Smile

COP(=O)([C@@]1([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)OC

DOS

IR

Vibrations