Geometry & MOs

Info

ID:	193532
PubChem CID:	78404087
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	435.147744
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	6.41
IP(EA), eV:	-8.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5-sulfanylidene-2,10a-dihydroimidazo[1,2-c]quinazolin-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC(=O)C(=C3C(CNCN3)C4=CC=CC=C4OC)C=C2

DOS

IR

Vibrations