Geometry & MOs

Info

ID:	172416
PubChem CID:	75507475
Reduced:	SO2N6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	82.22
Dipole, Da:	6.67
IP(EA), eV:	-9.3(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=CS2)C3=NC(=NO3)C4=CN=C(N=C4N)COC

DOS

IR

Vibrations