Geometry & MOs

Info

ID:	64488
PubChem CID:	29201599
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	445.094371
ΔH_f, kcal/mol:	-131.55
Dipole, Da:	6.04
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations