Geometry & MOs

Info

ID:	194940
PubChem CID:	78610724
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	392.119464
ΔH_f, kcal/mol:	-173.04
Dipole, Da:	5.95
IP(EA), eV:	-9.29(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-methyl-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC

DOS

IR

Vibrations