Geometry & MOs

Info

ID:	331545
PubChem CID:	127248952
Reduced:	SN2O4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	420.163827
ΔH_f, kcal/mol:	-149.33
Dipole, Da:	3.2
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]-1-cyclopentylazepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C(C)(C)OC)O)CCOC3=CC=CC=C3

DOS

IR

Vibrations