Geometry & MOs

Info

ID:	387262
PubChem CID:	134984642
Reduced:	ClNO2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	553.132587
ΔH_f, kcal/mol:	6.41
Dipole, Da:	3.66
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-[(2R,3S)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]-3-phenylpropylidene]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations