Geometry & MOs

Info

ID:	406169
PubChem CID:	135076739
Reduced:	BrNSO2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	1.83
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-2-ethenyl-3-(phenylmethoxymethyl)aziridine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N(CC(=C)Br)C1=CSC=C1

DOS

IR

Vibrations