Geometry & MOs

Info

ID:	331572
PubChem CID:	127248979
Reduced:	SF2N2O4C21H26 (1)
Stoich.:	AB2C2D4E21F26 (1)
Weight, g/mol:	433.203528
ΔH_f, kcal/mol:	-229.15
Dipole, Da:	3.28
IP(EA), eV:	-9.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-hydroxy-4-[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]azepan-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)CCOC)O)COC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations