Geometry & MOs

Info

ID:	25592
PubChem CID:	627023
Reduced:	N3O5H9C14 (1)
Stoich.:	A3B5C9D14 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	26.98
Dipole, Da:	9.31
IP(EA), eV:	-9.33(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

COC1=CC2=CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N=C2C=C1

DOS

IR

Vibrations