Geometry & MOs

Info

ID:	209730
PubChem CID:	80709362
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-74.06
Dipole, Da:	3.92
IP(EA), eV:	-9.09(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-cyclopropyl-2-(thian-4-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CCCNCC1=NC=C(C=C1)C)S(=O)(=O)C

DOS

IR

Vibrations