Geometry & MOs

Info

ID:	191861
PubChem CID:	78194944
Reduced:	SN4O5H14C19 (1)
Stoich.:	AB4C5D14E19 (1)
Weight, g/mol:	402.133948
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	6.29
IP(EA), eV:	-9.08(-3.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1,3-diazinane-4-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C3=NC(=O)C(=O)C(=N3)C(=O)O

DOS

IR

Vibrations