Geometry & MOs

Info

ID:	331573
PubChem CID:	127248980
Reduced:	SN3O4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-124.02
Dipole, Da:	6.78
IP(EA), eV:	-8.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC(=O)N(C)C)O)COC3=CC=C(C=C3)OC

DOS

IR

Vibrations