Geometry & MOs

Info

ID:	155422
PubChem CID:	56355074
Reduced:	BrSN2O4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	433.109627
ΔH_f, kcal/mol:	-128.38
Dipole, Da:	3.0
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-benzoylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(CCOC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations