Geometry & MOs

Info

ID:	191855
PubChem CID:	78194938
Reduced:	N5O5H11C19 (1)
Stoich.:	A5B5C11D19 (1)
Weight, g/mol:	416.991926
ΔH_f, kcal/mol:	-29.96
Dipole, Da:	11.53
IP(EA), eV:	-9.58(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3,4-dichlorobenzoyl)amino]phenyl]-5,6-dioxopyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C#N)C3=NC(=O)C(=O)C(=N3)C(=O)O

DOS

IR

Vibrations