Geometry & MOs

Info

ID:	423317
PubChem CID:	135119303
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	3.64
IP(EA), eV:	-8.97(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-(2,5-dimethylfuran-3-carbonyl)-2-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(C(C)C)C(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations