Geometry & MOs

Info

ID:	32641
PubChem CID:	7847022
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	382.098728
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	4.51
IP(EA), eV:	-8.57(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations