Geometry & MOs

Info

ID:	426097
PubChem CID:	135137317
Reduced:	NH43C51 (1)
Stoich.:	AB43C51 (1)
Weight, g/mol:	448.13176
ΔH_f, kcal/mol:	178.7
Dipole, Da:	0.85
IP(EA), eV:	-7.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CCC2C3=C1C=C(CC3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=C(C=CC=C7C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations