Geometry & MOs

Info

ID:	184517
PubChem CID:	77171969
Reduced:	SN4O6C27H38 (1)
Stoich.:	AB4C6D27E38 (1)
Weight, g/mol:	439.15422
ΔH_f, kcal/mol:	-233.53
Dipole, Da:	7.62
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3,5-dimethylphenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC3(CCN(CC3)S(=O)(=O)CCC4=C5C=CN(C5=CC=C4)CC(C(CO)O)O)C(=O)N2

DOS

IR

Vibrations