Geometry & MOs

Info

ID:	331561
PubChem CID:	127248968
Reduced:	SN2O3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	4.77
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]azepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)CC3CCCCC3)O)COC4=CC=CC=C4

DOS

IR

Vibrations