Geometry & MOs

Info

ID:	383072
PubChem CID:	134974580
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	10.62
IP(EA), eV:	-8.41(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-[(2R)-oxiran-2-yl]-2-phenylethane-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(NC1=S)NC(=O)C2=CC=CC=C2)N3CCCC3

DOS

IR

Vibrations