Geometry & MOs

Info

ID:	140745
PubChem CID:	52750919
Reduced:	N2O5H24C25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	457.155018
ΔH_f, kcal/mol:	-140.0
Dipole, Da:	3.58
IP(EA), eV:	-8.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxoquinazolin-1-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations