Geometry & MOs

Info

ID:	140176
PubChem CID:	52658733
Reduced:	ClS2N7C20H22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	424.122356
ΔH_f, kcal/mol:	139.81
Dipole, Da:	4.48
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(N1C2=CC=C(C=C2)Cl)SCC3=CSC(=N3)C4=CN(N=C4)C)N(C)C

DOS

IR

Vibrations