Geometry & MOs

Info

ID:	224691
PubChem CID:	85346901
Reduced:	SN3O4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	437.25975
ΔH_f, kcal/mol:	-35.51
Dipole, Da:	9.34
IP(EA), eV:	-10.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2C3=CC=C(C=C3)C(=O)OC)(C#N)C#N)C=C

DOS

IR

Vibrations