Geometry & MOs

Info

ID:	139526
PubChem CID:	52549568
Reduced:	SN2O5C14H14 (1)
Stoich.:	AB2C5D14E14 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	9.12
IP(EA), eV:	-9.46(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] quinoline-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)C[C@@H]3CS(=O)(=O)C=C3

DOS

IR

Vibrations