Geometry & MOs

Info

ID:	331552
PubChem CID:	127248959
Reduced:	SN2O3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	418.229014
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	3.66
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3=CC(=CC=C3)OC)O)COC4=CC=CC=C4

DOS

IR

Vibrations