Geometry & MOs

Info

ID:	76872
PubChem CID:	48425505
Reduced:	SCl2N2O2C15H20 (1)
Stoich.:	AB2C2D2E15F20 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	3.96
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-propan-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C)SC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations