Geometry & MOs

Info

ID:	302676
PubChem CID:	124391968
Reduced:	SN2O6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	476.97271
ΔH_f, kcal/mol:	-179.8
Dipole, Da:	7.13
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-chlorophenoxy]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=C(O3)C(=O)OC)OC

DOS

IR

Vibrations