Geometry & MOs

Info

ID:	122903
PubChem CID:	50826157
Reduced:	SO3N5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	422.170253
ΔH_f, kcal/mol:	5.05
Dipole, Da:	7.41
IP(EA), eV:	-8.59(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)N3C=NC4=C(C3=N2)SC=C4C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations