Geometry & MOs

Info

ID:	37402
PubChem CID:	8020697
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-177.33
Dipole, Da:	5.83
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations