Geometry & MOs

Info

ID:	128389
PubChem CID:	51042267
Reduced:	Cl2N2F3O4H25C28 (1)
Stoich.:	A2B2C3D4E25F28 (1)
Weight, g/mol:	469.196134
ΔH_f, kcal/mol:	-284.87
Dipole, Da:	9.45
IP(EA), eV:	-9.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@H]1C2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations