Geometry & MOs

Info

ID:	123128
PubChem CID:	50834728
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	476.166431
ΔH_f, kcal/mol:	5.35
Dipole, Da:	3.77
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)sulfonyl-3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)NC4=NOC5=CC=CC=C54

DOS

IR

Vibrations