Geometry & MOs

Info

ID:	383459
PubChem CID:	134975197
Reduced:	NSSiO8C26H37 (1)
Stoich.:	ABCD8E26F37 (1)
Weight, g/mol:	418.207655
ΔH_f, kcal/mol:	-387.38
Dipole, Da:	5.37
IP(EA), eV:	-8.69(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S,7R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-7-yl]methanol

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@@H](C(O1)CO[Si](C)(C)C(C)(C)C)OC(=O)C)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations