Geometry & MOs

Info

ID:	331517
PubChem CID:	127248924
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	406.172642
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	3.63
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3=NC=CN=C3)O)CCOC4=CC=CC=C4

DOS

IR

Vibrations