Geometry & MOs

Info

ID:	77027
PubChem CID:	48425723
Reduced:	FSN3O3C18H22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-159.99
Dipole, Da:	4.79
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CN1C(=C(SC1=O)C)C2=CC=C(C=C2)F

DOS

IR

Vibrations