Geometry & MOs

Info

ID:	223412
PubChem CID:	85334998
Reduced:	ClN3O3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	5.78
IP(EA), eV:	-9.27(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-(3-sulfanylidene-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-4,6,8-trien-8-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=NC=NC2=O)N1C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations