Geometry & MOs

Info

ID:	61343
PubChem CID:	26708322
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	415.109897
ΔH_f, kcal/mol:	-157.44
Dipole, Da:	13.29
IP(EA), eV:	-8.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC(=O)N(C[C@H]2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3)OC

DOS

IR

Vibrations