Geometry & MOs

Info

ID:	331530
PubChem CID:	127248937
Reduced:	FSN2O2C25H29 (1)
Stoich.:	ABC2D2E25F29 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	2.88
IP(EA), eV:	-8.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3=CC(=CC=C3)F)O)CCOC4=CC=CC=C4

DOS

IR

Vibrations