Geometry & MOs

Info

ID:	331518
PubChem CID:	127248925
Reduced:	FSN2O3C21H27 (1)
Stoich.:	ABC2D3E21F27 (1)
Weight, g/mol:	418.192629
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	2.82
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[5-[2-(4-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]azepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(CC1)(C2=NC(=C(S2)CCOC3=CC=CC=C3F)C)O

DOS

IR

Vibrations