Geometry & MOs

Info

ID:	213093
PubChem CID:	81062831
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	323.039834
ΔH_f, kcal/mol:	-116.74
Dipole, Da:	1.43
IP(EA), eV:	-9.51(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCN1C=CN=C1

DOS

IR

Vibrations