Geometry & MOs

Info

ID:	265600
PubChem CID:	103532679
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	304.052921
ΔH_f, kcal/mol:	-39.15
Dipole, Da:	4.95
IP(EA), eV:	-9.58(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-nitrophenyl)sulfonyl-3-methoxypyrrolidine

Drug info:

PubChemData

Smile

COC1CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)Cl

DOS

IR

Vibrations