Geometry & MOs

Info

ID:	169952
PubChem CID:	75173490
Reduced:	FN4O5H25C26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	474.206719
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	3.71
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-(4-propan-2-ylphenyl)-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)NCC3=CC=C(C=C3)F)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations