Geometry & MOs

Info

ID:	391248
PubChem CID:	135003862
Reduced:	NSiO2C26H35 (1)
Stoich.:	ABC2D26E35 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	2.03
IP(EA), eV:	-8.71(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S,4R,5S)-2-cyano-4-(hydroxymethyl)-3-(4-nitrophenyl)-5-phenylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O/C=C/[C@@]1(C2=CC=CC=C2N(C1=O)C)C3=CC=CC=C3

DOS

IR

Vibrations