Geometry & MOs

Info

ID:	172734
PubChem CID:	75545279
Reduced:	F2N3O3C26H29 (1)
Stoich.:	A2B3C3D26E29 (1)
Weight, g/mol:	502.295534
ΔH_f, kcal/mol:	-207.41
Dipole, Da:	9.76
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(3-methylbutyl)pentanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=O)N2CC3=CC(=CC=C3)F)CCCCC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations