Geometry & MOs

Info

ID:	32650
PubChem CID:	7847035
Reduced:	BrNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	386.075885
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	0.76
IP(EA), eV:	-9.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations