Geometry & MOs

Info

ID:	191854
PubChem CID:	78194937
Reduced:	SN3O5H11C20 (1)
Stoich.:	AB3C5D11E20 (1)
Weight, g/mol:	389.076018
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	6.61
IP(EA), eV:	-9.22(-3.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)NC3=CC=CC(=C3)C4=NC(=O)C(=O)C(=N4)C(=O)O

DOS

IR

Vibrations