Geometry & MOs

Info

ID:	185483
PubChem CID:	77302998
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	551.234856
ΔH_f, kcal/mol:	11.19
Dipole, Da:	5.01
IP(EA), eV:	-9.09(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2C3C=CC(C2C(=O)N)C34CC4)CC5=CC=CC=C5

DOS

IR

Vibrations