Geometry & MOs

Info

ID:	188091
PubChem CID:	77668168
Reduced:	BrClN3O6H23C26 (1)
Stoich.:	ABC3D6E23F26 (1)
Weight, g/mol:	629.11615
ΔH_f, kcal/mol:	-151.79
Dipole, Da:	5.04
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylphenyl)methyl 2-[4-(3-bromo-4-methoxyphenoxy)-3,5-dimethylphenyl]-3,5-dioxo-1,2,4-triazinane-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)Br)C)N3C(=O)NC(=O)C(N3)C(=O)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations