Geometry & MOs

Info

ID:	62131
PubChem CID:	26717699
Reduced:	SCl2N2O5C20H22 (1)
Stoich.:	AB2C2D5E20F22 (1)
Weight, g/mol:	418.991648
ΔH_f, kcal/mol:	-176.64
Dipole, Da:	4.12
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations