Geometry & MOs

Info

ID:	26440
PubChem CID:	647849
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	395.144967
ΔH_f, kcal/mol:	-172.56
Dipole, Da:	3.19
IP(EA), eV:	-9.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=CO2

DOS

IR

Vibrations