Geometry & MOs

Info

ID:	331499
PubChem CID:	127248906
Reduced:	ClSN2O2C21H29 (1)
Stoich.:	ABC2D2E21F29 (1)
Weight, g/mol:	410.183956
ΔH_f, kcal/mol:	-69.2
Dipole, Da:	3.01
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCCC(CC1)(C2=NC(=C(S2)CCOC3=CC=CC=C3Cl)C)O

DOS

IR

Vibrations