Geometry & MOs

Info

ID:	185126
PubChem CID:	77258808
Reduced:	FSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	402.152575
ΔH_f, kcal/mol:	-148.87
Dipole, Da:	7.65
IP(EA), eV:	-9.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[ethyl(methyl)amino]-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=NC2(CC(=O)CC2CS1)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations