Geometry & MOs

Info

ID:	402057
PubChem CID:	135054101
Reduced:	SN2O4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	252.11503
ΔH_f, kcal/mol:	-179.95
Dipole, Da:	4.59
IP(EA), eV:	-10.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1R)-3-phenyl-1-[(2R)-3-phenyloxiran-2-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC1(C[C@H]2CN(S(=O)(=O)N2C1)C(=O)OC)C

DOS

IR

Vibrations