Geometry & MOs

Info

ID:	422744
PubChem CID:	135118338
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	435.172896
ΔH_f, kcal/mol:	-115.84
Dipole, Da:	6.4
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations