Geometry & MOs

Info

ID:	143955
PubChem CID:	53287721
Reduced:	N2S2O3C23H32 (1)
Stoich.:	A2B2C3D23E32 (1)
Weight, g/mol:	436.158742
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	5.39
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(CC2=CC=C(C=C2)C(=O)NCCSC(C)(C)C)S(=O)(=O)C

DOS

IR

Vibrations