Geometry & MOs

Info

ID:	176521
PubChem CID:	76062016
Reduced:	SiN3O4C20H35 (1)
Stoich.:	AB3C4D20E35 (1)
Weight, g/mol:	537.172537
ΔH_f, kcal/mol:	-218.77
Dipole, Da:	2.92
IP(EA), eV:	-8.85(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethyl)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)CC2CC(CN2C(=O)OCC=C)O[Si](C)(C)C(C)(C)C)CO

DOS

IR

Vibrations