Geometry & MOs

Info

ID:	32640
PubChem CID:	7847021
Reduced:	N2S2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	3.17
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-butylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations