Geometry & MOs

Info

ID:	178199
PubChem CID:	76293886
Reduced:	O5N6H23C25 (1)
Stoich.:	A5B6C23D25 (1)
Weight, g/mol:	431.111735
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.845160
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CCOC(=O)C3=CC=CC=C3CC4=NC(=O)C5C=CC=CC5=N4

DOS

IR

Vibrations