Geometry & MOs

Info

ID:	331531
PubChem CID:	127248938
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	446.203942
ΔH_f, kcal/mol:	-94.54
Dipole, Da:	3.44
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[4-[5-[2-(2-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC(=O)N(C)C)O)CCOC3=CC=CC=C3

DOS

IR

Vibrations