Geometry & MOs

Info

ID:	76800
PubChem CID:	48425400
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	337.18017
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	2.0
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(diethylamino)-2-oxoethyl]amino]-4-oxobutyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)NCC(=O)N(CC)CC

DOS

IR

Vibrations