Geometry & MOs

Info

ID:	27092
PubChem CID:	814298
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	8.5
Dipole, Da:	2.78
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC1CN(CC(=O)NC2=NC=CS2)C(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations