Geometry & MOs

Info

ID:	191863
PubChem CID:	78194946
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	384.14337
ΔH_f, kcal/mol:	-76.8
Dipole, Da:	11.01
IP(EA), eV:	-9.37(-2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations