Geometry & MOs

Info

ID:	21454
PubChem CID:	588363
Reduced:	BrSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	369.01466
ΔH_f, kcal/mol:	-61.63
Dipole, Da:	3.05
IP(EA), eV:	-9.37(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-1,3-benzothiazol-2-yl)-N'-propan-2-ylbutanediamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br

DOS

IR

Vibrations