Geometry & MOs

Info

ID:	148715
PubChem CID:	53788384
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	268.110432
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	1.29
IP(EA), eV:	-7.81(0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

acetyl-[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-diethylazanium

Drug info:

PubChemData

Smile

CC1=NC2=C(N(C(=C2S1)O)C(C)(C)C)O

DOS

IR

Vibrations