Geometry & MOs

Info

ID:	331513
PubChem CID:	127248920
Reduced:	ClSN2O3C22H29 (1)
Stoich.:	ABC2D3E22F29 (1)
Weight, g/mol:	438.17887
ΔH_f, kcal/mol:	-120.93
Dipole, Da:	3.55
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[2-(3,4-difluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C(C)C)O)CCOC3=CC=CC=C3Cl

DOS

IR

Vibrations