Geometry & MOs

Info

ID:	445938
PubChem CID:	135269976
Reduced:	SF2O3N5C27H31 (1)
Stoich.:	AB2C3D5E27F31 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	-73.78
Dipole, Da:	6.7
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[5-methyl-6-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C2N(N=C(O2)/C(=C/C=C(\C)/CNC)/C#C)C)C3=C(C=C(C=C3)S(=O)(=O)C(C)C)C(F)F

DOS

IR

Vibrations