Geometry & MOs

Info

ID:	121308
PubChem CID:	50762503
Reduced:	N2O2C15H18 (2)
Stoich.:	A2B2C15D18 (2)
Weight, g/mol:	513.125547
ΔH_f, kcal/mol:	-168.41
Dipole, Da:	4.46
IP(EA), eV:	-9.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N(C3=O)CC(=O)NC5CCCCC5

DOS

IR

Vibrations