Geometry & MOs

Info

ID:	158719
PubChem CID:	56465212
Reduced:	ClSO2N4C25H29 (1)
Stoich.:	ABC2D4E25F29 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	2.95
IP(EA), eV:	-8.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CC3=CSC(=N3)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations