Geometry & MOs

Info

ID:	36366
PubChem CID:	8002521
Reduced:	NSO6C19H25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	406.116486
ΔH_f, kcal/mol:	-239.0
Dipole, Da:	4.15
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylanilino)ethyl] 4-methoxy-3-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@@H]3CCCCC3=O

DOS

IR

Vibrations