Geometry & MOs

Info

ID:	162728
PubChem CID:	57551966
Reduced:	SO4N5C28H37 (1)
Stoich.:	AB4C5D28E37 (1)
Weight, g/mol:	235.097521
ΔH_f, kcal/mol:	-125.58
Dipole, Da:	3.24
IP(EA), eV:	-8.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-tert-butyl-6-chloro-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-3,3-diol

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)N2CCN(CC2)C)C3=CC=C(C=C3)C(=O)N[C@@H](CC(C)C)C(=O)N4CC[C@@H]5[C@H]4C(=O)CO5

DOS

IR

Vibrations