Geometry & MOs

Info

ID:	130378
PubChem CID:	51075769
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	327.096286
ΔH_f, kcal/mol:	-94.64
Dipole, Da:	3.3
IP(EA), eV:	-9.25(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC(C)CCC1=CC=CO1

DOS

IR

Vibrations