Geometry & MOs

Info

ID:	60477
PubChem CID:	26697067
Reduced:	SCl2N3O5C20H23 (1)
Stoich.:	AB2C3D5E20F23 (1)
Weight, g/mol:	480.05927
ΔH_f, kcal/mol:	-172.46
Dipole, Da:	6.22
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2-bromo-5-methylphenyl)-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfonylazanide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations