Geometry & MOs

Info

ID:	414651
PubChem CID:	135087610
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	427.147824
ΔH_f, kcal/mol:	-129.19
Dipole, Da:	5.69
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-N-methyl-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations