Geometry & MOs

Info

ID:	331497
PubChem CID:	127248904
Reduced:	SN2O2C25H30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	396.168306
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	2.27
IP(EA), eV:	-8.69(-0.68)
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-ethylazepan-4-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations