Geometry & MOs

Info

ID:	26539
PubChem CID:	652138
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	11.86
Dipole, Da:	2.53
IP(EA), eV:	-8.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-hydroxy-9-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)NCC3=CC=CO3

DOS

IR

Vibrations