Geometry & MOs

Info

ID:	188152
PubChem CID:	77674254
Reduced:	ClOSN6H25C27 (1)
Stoich.:	ABCD6E25F27 (1)
Weight, g/mol:	399.186585
ΔH_f, kcal/mol:	85.38
Dipole, Da:	6.07
IP(EA), eV:	-8.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC3=NC=NC4=C3SC(=C4)C#CC5CC(CN5)O)N=C1CC6=CC=CC=C6.Cl

DOS

IR

Vibrations