Geometry & MOs

Info

ID:	49053
PubChem CID:	11528658
Reduced:	NOH11C15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	221.05105
ΔH_f, kcal/mol:	31.87
Dipole, Da:	0.88
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-3-methyl-7lambda6-thia-6-azatetracyclo[6.4.0.02,4.03,6]dodeca-1(12),8,10-triene 7,7-dioxide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC=C(C=C3)O

DOS

IR

Vibrations