Geometry & MOs

Info

ID:	335653
PubChem CID:	127254515
Reduced:	OSN7C21H23 (1)
Stoich.:	ABC7D21E23 (1)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	98.42
Dipole, Da:	7.4
IP(EA), eV:	-9.48(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)C#N)N4C=NN=N4)C

DOS

IR

Vibrations