Geometry & MOs

Info

ID:	322763
PubChem CID:	126671045
Reduced:	BrO3N6C23H23 (1)
Stoich.:	AB3C6D23E23 (1)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	5.27
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2C(=O)N)CC(=O)N3[C@@H]4CC[C@@H]4C[C@H]3C(=O)NC5=NC(=CC=C5)Br

DOS

IR

Vibrations