Geometry & MOs

Info

ID:	193889
PubChem CID:	78450972
Reduced:	ClN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	387.123049
ΔH_f, kcal/mol:	-153.0
Dipole, Da:	1.62
IP(EA), eV:	-8.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=O)C(CNC2=O)C(=O)NC3=CC=CC=C3Cl)OC

DOS

IR

Vibrations