Geometry & MOs

Info

ID:	331594
PubChem CID:	127249001
Reduced:	O2S2N3C22H27 (1)
Stoich.:	A2B2C3D22E27 (1)
Weight, g/mol:	448.203193
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	3.59
IP(EA), eV:	-8.79(-0.65)
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-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3=CN=C(S3)C)O)COC4=CC=CC=C4

DOS

IR

Vibrations