Geometry & MOs

Info

ID:	149416
PubChem CID:	53789089
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	1.95
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1R)-1-(oxiran-2-yl)-2-phenylsulfanylethyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)N[C@H](CSC1=CC=CC=C1)[C@@H]2CO2

DOS

IR

Vibrations