Geometry & MOs

Info

ID:	306985
PubChem CID:	125264566
Reduced:	N4O5H18C22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	338.061966
ΔH_f, kcal/mol:	-26.75
Dipole, Da:	6.51
IP(EA), eV:	-8.79(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-ethylsulfanyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]-5-methyl-3-oxo-6H-pyrazolo[4,3-c]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(C=C1)OCO2)/C=N\N3[C@H](N=C4C5=C(C=CC(=C5)OC)N=C4C3=O)O

DOS

IR

Vibrations