Geometry & MOs

Info

ID:	387034
PubChem CID:	134983751
Reduced:	SN3O5C31H37 (1)
Stoich.:	AB3C5D31E37 (1)
Weight, g/mol:	301.063634
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	6.61
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-2-tert-butyl-3-(2,6-dichlorophenyl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](/C=N/N3CCC[C@@H]3COC)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations