Geometry & MOs

Info

ID:	32599
PubChem CID:	7846947
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	382.098728
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	3.96
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations