Geometry & MOs

Info

ID:	38082
PubChem CID:	8026856
Reduced:	FN4O4H11C15 (1)
Stoich.:	AB4C4D11E15 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-143.71
Dipole, Da:	9.2
IP(EA), eV:	-9.16(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)COC(=O)C2=C(NC(=O)C(=C2)C#N)N)F

DOS

IR

Vibrations