Geometry & MOs

Info

ID:	18963
PubChem CID:	551870
Reduced:	SF3O3N4C16H21 (1)
Stoich.:	AB3C3D4E16F21 (1)
Weight, g/mol:	406.128646
ΔH_f, kcal/mol:	-244.27
Dipole, Da:	5.46
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)N(C)C)C

DOS

IR

Vibrations