Geometry & MOs

Info

ID:	227063
PubChem CID:	87560000
Reduced:	SiS2O3C13H30 (1)
Stoich.:	AB2C3D13E30 (1)
Weight, g/mol:	545.148426
ΔH_f, kcal/mol:	-262.28
Dipole, Da:	5.25
IP(EA), eV:	-8.59(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-prop-2-ynylpiperazin-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCCO[Si](CC(CS)CS)(OCCC)OCCC

DOS

IR

Vibrations