Geometry & MOs

Info

ID:	331493
PubChem CID:	127248900
Reduced:	FSN2O2C23H31 (1)
Stoich.:	ABC2D2E23F31 (1)
Weight, g/mol:	430.229014
ΔH_f, kcal/mol:	-103.89
Dipole, Da:	3.23
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-[5-[2-(4-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]azepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C3CCCC3)O)CCOC4=CC=CC=C4F

DOS

IR

Vibrations