Geometry & MOs

Info

ID:	398868
PubChem CID:	135035917
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	363.168188
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	6.72
IP(EA), eV:	-8.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[2-ethoxycarbonyl-1-(1-phenylethyl)aziridin-2-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC=CC=C3)/C(=N2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations