Geometry & MOs

Info

ID:	32588
PubChem CID:	7846930
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	402.080491
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	6.47
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations