Geometry & MOs

Info

ID:	121310
PubChem CID:	50762581
Reduced:	ClN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	512.242356
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	5.35
IP(EA), eV:	-9.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations