Geometry & MOs

Info

ID:	331506
PubChem CID:	127248913
Reduced:	FSN2O2C23H33 (1)
Stoich.:	ABC2D2E23F33 (1)
Weight, g/mol:	432.244664
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	3.32
IP(EA), eV:	-8.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropyl)-4-[5-[2-(4-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]azepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC(C)(C)C)O)CCOC3=CC=C(C=C3)F

DOS

IR

Vibrations