Geometry & MOs

Info

ID:	326352
PubChem CID:	126687376
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	362.202799
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	1.0
IP(EA), eV:	-8.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-(cyclohexylmethyl)-2-[(5-hydroxypyridin-2-yl)sulfanylmethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=C(C=C3)OC)O)C4=NC=C(C=C4)O

DOS

IR

Vibrations