Geometry & MOs

Info

ID:	406498
PubChem CID:	135077819
Reduced:	LiOC18H35 (1)
Stoich.:	ABC18D35 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-15.11
Dipole, Da:	30.45
IP(EA), eV:	-4.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-2-chloro-1-[(S)-(4-methylphenyl)sulfinyl]-3-propan-2-ylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

[Li+].CCCCCCCC/C=C\CCCCCCCC[O-]

DOS

IR

Vibrations