Geometry & MOs

Info

ID:	331566
PubChem CID:	127248973
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	420.171893
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	5.67
IP(EA), eV:	-9.01(-0.92)
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]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3=CC=CC=N3)O)COC4=CC=CC=C4

DOS

IR

Vibrations