Geometry & MOs

Info

ID:	178201
PubChem CID:	76293888
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	475.06171
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	5.65
IP(EA), eV:	-9.7(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-(3-bromophenyl)-3-[(1,3-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-7-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1CC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations