Geometry & MOs

Info

ID:	167687
PubChem CID:	74858429
Reduced:	Cl2O3N5H21C24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	412.191069
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	5.51
IP(EA), eV:	-9.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)-N-ethyl-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)NCC3=CN=CC=C3)CC4=CC(=CC=C4)Cl)Cl

DOS

IR

Vibrations