Geometry & MOs

Info

ID:	289461
PubChem CID:	104355783
Reduced:	SN2O5C12H18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-190.68
Dipole, Da:	5.99
IP(EA), eV:	-9.47(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CN(CCCOC)S(=O)(=O)C1=C(C=C(C=C1)N)C(=O)O

DOS

IR

Vibrations