Geometry & MOs

Info

ID:	169951
PubChem CID:	75173489
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	492.180898
ΔH_f, kcal/mol:	-143.4
Dipole, Da:	4.37
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1C(=O)N(C(=O)N(N1)C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations