Geometry & MOs

Info

ID:	125943
PubChem CID:	50944846
Reduced:	ON7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	320.059756
ΔH_f, kcal/mol:	36.49
Dipole, Da:	4.01
IP(EA), eV:	-8.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)butanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4C(=CC(=N4)C)C)C

DOS

IR

Vibrations