Geometry & MOs

Info

ID:	392286
PubChem CID:	135014168
Reduced:	NS2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	397.204179
ΔH_f, kcal/mol:	-110.46
Dipole, Da:	6.41
IP(EA), eV:	-9.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-1-benzhydryl-3-phenyl-2-prop-2-enylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

C1COC(O1)CCS(=O)(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations