Geometry & MOs

Info

ID:	52296
PubChem CID:	12015121
Reduced:	OS2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	137.084064
ΔH_f, kcal/mol:	-46.82
Dipole, Da:	3.82
IP(EA), eV:	-8.46(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[(2R,3R)-3-methyloxiran-2-yl]pent-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1SCC[S@@]1=O

DOS

IR

Vibrations