Geometry & MOs

Info

ID:	79095
PubChem CID:	49746775
Reduced:	SO3N5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	375.119221
ΔH_f, kcal/mol:	50.39
Dipole, Da:	6.59
IP(EA), eV:	-9.62(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations