Geometry & MOs

Info

ID:	393640
PubChem CID:	135021332
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	354.141799
ΔH_f, kcal/mol:	-20.6
Dipole, Da:	0.75
IP(EA), eV:	-8.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-4-(4-chlorophenyl)-2-triethylsilyloxybut-2-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC3CCCCC3S2

DOS

IR

Vibrations