Geometry & MOs

Info

ID:	289463
PubChem CID:	104355888
Reduced:	SN2O5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	314.057257
ΔH_f, kcal/mol:	-204.76
Dipole, Da:	8.54
IP(EA), eV:	-9.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-nitro-2-pyrrolidin-1-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

C1CCC(C1)(CNS(=O)(=O)C2=C(C=C(C=C2)N)C(=O)O)O

DOS

IR

Vibrations