Geometry & MOs

Info

ID:	331570
PubChem CID:	127248977
Reduced:	SF2N2O2C21H26 (1)
Stoich.:	AB2C2D2E21F26 (1)
Weight, g/mol:	438.138006
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	2.85
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-1-yl]-3-methoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3CC3)O)COC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations