Geometry & MOs

Info

ID:	164811
PubChem CID:	74457516
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	489.05494
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	6.42
IP(EA), eV:	-9.04(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-iodophenyl)-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCC3C(C2)NC(=O)N(C3=O)C4=CC=CC=C4)F

DOS

IR

Vibrations