Geometry & MOs

Info

ID:	37446
PubChem CID:	8021141
Reduced:	ClFN2O6H16C18 (1)
Stoich.:	ABC2D6E16F18 (1)
Weight, g/mol:	397.082934
ΔH_f, kcal/mol:	-183.57
Dipole, Da:	10.51
IP(EA), eV:	-9.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)O[C@@H](C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations