Geometry & MOs

Info

ID:	43071
PubChem CID:	10318320
Reduced:	ClN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	391.100892
ΔH_f, kcal/mol:	-128.11
Dipole, Da:	4.91
IP(EA), eV:	-8.3(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)CNC2=C(C=CC(=C2)C(=O)N)Cl)OC

DOS

IR

Vibrations