Geometry & MOs

Info

ID:	17516
PubChem CID:	502489
Reduced:	N4O7H20C22 (1)
Stoich.:	A4B7C20D22 (1)
Weight, g/mol:	452.133199
ΔH_f, kcal/mol:	-202.46
Dipole, Da:	6.02
IP(EA), eV:	-9.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoylamino]phenyl]-5-hydroxy-4-oxo-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)NC3=CC=CC(=C3)C4=NC(=O)C(=C(N4)C(=O)O)O

DOS

IR

Vibrations