Geometry & MOs

Info

ID:	193007
PubChem CID:	78337052
Reduced:	OS2F3N5H12C13 (1)
Stoich.:	AB2C3D5E12F13 (1)
Weight, g/mol:	458.15902
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	9.61
IP(EA), eV:	-9.36(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,4-dioxo-4aH-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC3=NN=C(N3C)C(F)(F)F)C

DOS

IR

Vibrations