Geometry & MOs

Info

ID:	185331
PubChem CID:	77287474
Reduced:	S2N3O5C21H27 (1)
Stoich.:	A2B3C5D21E27 (1)
Weight, g/mol:	314.022498
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	4.99
IP(EA), eV:	-8.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5,6-dichloro-4-methylidene-2-oxo-4aH-quinazolin-3-yl)acetate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NCC2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O

DOS

IR

Vibrations