Geometry & MOs

Info

ID:	167686
PubChem CID:	74858351
Reduced:	ClFO3N4C21H22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	497.102145
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	3.76
IP(EA), eV:	-9.04(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3,5-dioxo-N-(pyridin-3-ylmethyl)-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations