Geometry & MOs

Info

ID:	243768
PubChem CID:	99239479
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	4.65
IP(EA), eV:	-9.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)[C@@H]2CC(=O)N(C2)C3CCCC3

DOS

IR

Vibrations