Geometry & MOs

Info

ID:	145831
PubChem CID:	53599604
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	343.03283
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	2.89
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1-methyltetrazol-5-yl)sulfanylphenyl]-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCN(CC1=C2C(=CC=C1)OCO2)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations