Geometry & MOs

Info

ID:	445960
PubChem CID:	135270027
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	391.09504
ΔH_f, kcal/mol:	128.62
Dipole, Da:	2.61
IP(EA), eV:	-7.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanediol

Drug info:

PubChemData

Smile

C/C(=C(/N)\N=C/C(=C)C1=CN=CC=C1)/C(=C)NC2=CC=C3C(C2)(C=CN3)C

DOS

IR

Vibrations