Geometry & MOs

Info

ID:	191860
PubChem CID:	78194943
Reduced:	N5O7H11C18 (1)
Stoich.:	A5B7C11D18 (1)
Weight, g/mol:	410.068491
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	5.27
IP(EA), eV:	-9.71(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)NC2=CC=CC(=C2)C3=NC(=O)C(=O)C(=N3)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations