Geometry & MOs

Info

ID:	222424
PubChem CID:	85300676
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	5.03
IP(EA), eV:	-9.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C(CC=C)CC=C

DOS

IR

Vibrations