Geometry & MOs

Info

ID:	23059
PubChem CID:	601483
Reduced:	SF3N3O3C15H16 (1)
Stoich.:	AB3C3D3E15F16 (1)
Weight, g/mol:	375.086447
ΔH_f, kcal/mol:	-238.16
Dipole, Da:	6.05
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C#N

DOS

IR

Vibrations