Geometry & MOs

Info

ID:	27091
PubChem CID:	814295
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-45.85
Dipole, Da:	5.36
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N(CC2CC2)CC(=O)NC3=NC=CS3

DOS

IR

Vibrations