Geometry & MOs

Info

ID:	203027
PubChem CID:	79764297
Reduced:	FN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	376.99326
ΔH_f, kcal/mol:	-153.31
Dipole, Da:	6.51
IP(EA), eV:	-9.02(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(3-bromophenyl)sulfonylmorpholin-2-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CC1CN(CCO1)C2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations