Geometry & MOs

Info

ID:	68142
PubChem CID:	46507828
Reduced:	SN3O4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	384.110151
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	10.08
IP(EA), eV:	-8.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(NC(=S)C3=C2OC4=C(C3)C(=CN=C4C)CO)C5=CC=C(C=C5)OC

DOS

IR

Vibrations