Geometry & MOs

Info

ID:	147986
PubChem CID:	53787648
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	389.223594
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	6.29
IP(EA), eV:	-9.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R,6R)-2-[2,2-dimethyl-4-[(3-methylcyclopentyl)amino]cyclopentyl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C(=O)N1)C(=O)N)C2=CC=NC=C2

DOS

IR

Vibrations