Geometry & MOs

Info

ID:	57985
PubChem CID:	24398115
Reduced:	FNCl2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	432.02556
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	2.33
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations