Geometry & MOs

Info

ID:	81068
PubChem CID:	49854311
Reduced:	O4N6H26C29 (1)
Stoich.:	A4B6C26D29 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-33.18
Dipole, Da:	8.29
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-amino-2-oxoethyl)amino]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=NC(=O)N2C4=CC=CC=C4)NNC(=O)C5=CN=CC=C5)C

DOS

IR

Vibrations