Geometry & MOs

Info

ID:	178200
PubChem CID:	76293887
Reduced:	N3O6H17C23 (1)
Stoich.:	A3B6C17D23 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	11.55
IP(EA), eV:	-9.79(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butylcarbamoylamino)-2-oxoethyl] 2-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=NC(=O)C3C=CC=CC3=N2)C(=O)OCC(=O)NC(=O)C4=CC=CO4

DOS

IR

Vibrations