Geometry & MOs

Info

ID:	331547
PubChem CID:	127248954
Reduced:	SF2N2O2C22H28 (1)
Stoich.:	AB2C2D2E22F28 (1)
Weight, g/mol:	382.152656
ΔH_f, kcal/mol:	-146.07
Dipole, Da:	2.66
IP(EA), eV:	-8.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(3,4-difluorophenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]-1-ethylazepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C3CCCC3)O)COC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations