Geometry & MOs

Info

ID:	220467
PubChem CID:	85195476
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	221.072179
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	6.46
IP(EA), eV:	-9.46(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,5-trihydroxy-4-methylsulfanylcyclopentyl)acetamide

Drug info:

PubChemData

Smile

C1CC23CC(CC4C2N(C1)C(=O)C4)OC3=O

DOS

IR

Vibrations