Geometry & MOs

Info

ID:	191859
PubChem CID:	78194942
Reduced:	F3N4O5H11C19 (1)
Stoich.:	A3B4C5D11E19 (1)
Weight, g/mol:	409.065848
ΔH_f, kcal/mol:	-224.93
Dipole, Da:	11.12
IP(EA), eV:	-9.66(-2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-nitrophenyl)carbamoylamino]phenyl]-5,6-dioxopyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations