Geometry & MOs

Info

ID:	175460
PubChem CID:	75908191
Reduced:	ClNO4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	432.144296
ΔH_f, kcal/mol:	-128.25
Dipole, Da:	4.48
IP(EA), eV:	-9.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]pentanamide

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)OCCO

DOS

IR

Vibrations