Geometry & MOs

Info

ID:	53812
PubChem CID:	14718020
Reduced:	SN2O3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	212.025563
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	5.4
IP(EA), eV:	-9.49(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-amino-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-ene-3,11-dione

Drug info:

PubChemData

Smile

C1C2=C(C(=O)O1)N3C(C(C3=O)N)SC2

DOS

IR

Vibrations