Geometry & MOs

Info

ID:	188101
PubChem CID:	77668178
Reduced:	BrN3O6H26C28 (1)
Stoich.:	AB3C6D26E28 (1)
Weight, g/mol:	538.08518
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	6.64
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylphenyl]-3,5-dioxo-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)Br)C)N3C(=O)NC(=O)C(N3)C(=O)OCC=CC4=CC=CC=C4

DOS

IR

Vibrations