Geometry & MOs

Info

ID:	27820
PubChem CID:	823732
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	326.083747
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	3.69
IP(EA), eV:	-9.16(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CN=NC(=O)CC2=CC=CC=C2)C=C(C1=O)N(O)O

DOS

IR

Vibrations