Geometry & MOs

Info

ID:	307766
PubChem CID:	125309007
Reduced:	ClSF2O3N5H14C20 (1)
Stoich.:	ABC2D3E5F14G20 (1)
Weight, g/mol:	285.086189
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	4.55
IP(EA), eV:	-9.22(-2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,10S)-9-hydroxy-10-(2H-tetrazole-5-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2[C@@H](N=C3C(=CN=N3)C2=O)SCC(=O)NC4=C(C=C(C=C4)F)F)Cl

DOS

IR

Vibrations