Geometry & MOs

Info

ID:	172785
PubChem CID:	75552491
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	424.130874
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	6.47
IP(EA), eV:	-8.55(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-[(2-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)C3CCCNC3N(C2=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations