Geometry & MOs

Info

ID:	242896
PubChem CID:	99213679
Reduced:	BrO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	435.02523
ΔH_f, kcal/mol:	40.58
Dipole, Da:	4.85
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N(C)C(=O)C2=CC(=NC3=C2C(=NO3)C)C4CC4

DOS

IR

Vibrations