Geometry & MOs

Info

ID:	45504
PubChem CID:	10514260
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	241.149806
ΔH_f, kcal/mol:	-67.02
Dipole, Da:	6.93
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile

Drug info:

PubChemData

Smile

CCNC1=NC(=NC=C1C(=O)OCC)SC

DOS

IR

Vibrations