Geometry & MOs

Info

ID:	230776
PubChem CID:	87571977
Reduced:	NSi2C13H31 (1)
Stoich.:	AB2C13D31 (1)
Weight, g/mol:	514.196273
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	1.18
IP(EA), eV:	-8.2(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl methyl carbonate

Drug info:

PubChemData

Smile

CCC(C)N(CC[Si](C)(C)C=C)[Si](C)(C)C

DOS

IR

Vibrations