Geometry & MOs

Info

ID:	143954
PubChem CID:	53287445
Reduced:	SCl2N3O4H19C22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	448.185435
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	6.88
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylsulfanylethyl)-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations