Geometry & MOs

Info

ID:	414242
PubChem CID:	135087198
Reduced:	OF2N7C18H21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	330.107185
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	0.49
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(2,5-dimethylthiophen-3-yl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)[C@@H]5CC5(F)F

DOS

IR

Vibrations