Geometry & MOs

Info

ID:	331529
PubChem CID:	127248936
Reduced:	SF2N2O2C22H28 (1)
Stoich.:	AB2C2D2E22F28 (1)
Weight, g/mol:	440.193378
ΔH_f, kcal/mol:	-130.27
Dipole, Da:	4.67
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3CC3)O)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations