Geometry & MOs

Info

ID:	423299
PubChem CID:	135119250
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	427.150053
ΔH_f, kcal/mol:	-169.9
Dipole, Da:	4.03
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations