Geometry & MOs

Info

ID:	445904
PubChem CID:	135269908
Reduced:	OPSN6C26H31 (1)
Stoich.:	ABCD6E26F31 (1)
Weight, g/mol:	435.209282
ΔH_f, kcal/mol:	46.66
Dipole, Da:	2.98
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylsulfanylphenyl)-1-methyl-5-(3-methyl-5-phenyl-2H-1,3,4-oxadiazol-2-yl)-2H-pyrazin-6-amine

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)C(=N)OC(=N)C2=NC(=CN=C2N)C3=CC=C(C=C3)P(C)SC4CCCC4

DOS

IR

Vibrations