Geometry & MOs

Info

ID:	43140
PubChem CID:	10318907
Reduced:	NSeO6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	401.06603
ΔH_f, kcal/mol:	-133.86
Dipole, Da:	8.43
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(bromomethyl)-1-tert-butyl-3-[(4-methylphenyl)sulfonylmethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](C[C@@H]([C@H]2O1)O)CC[Se](=O)C3=CC=CC=C3[N+](=O)[O-])C

DOS

IR

Vibrations