Geometry & MOs

Info

ID:	32081
PubChem CID:	4265969
Reduced:	SN2O2Cl4H12C21 (1)
Stoich.:	AB2C2D4E12F21 (1)
Weight, g/mol:	402.04015
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	3.05
IP(EA), eV:	-9.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]hexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)Cl)C(=O)NC2=C(C=C(C(=C2)C3=NC4=CC=CC=C4S3)Cl)Cl

DOS

IR

Vibrations