Geometry & MOs

Info

ID:	314091
PubChem CID:	126620380
Reduced:	OH14C17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	428.057071
ΔH_f, kcal/mol:	28.09
Dipole, Da:	0.7
IP(EA), eV:	-8.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrosophenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2H-tetrazole

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=CC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations