Geometry & MOs

Info

ID:	65079
PubChem CID:	29204437
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	-95.04
Dipole, Da:	4.27
IP(EA), eV:	-8.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-butylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3O2

DOS

IR

Vibrations