Geometry & MOs

Info

ID:	23782
PubChem CID:	606086
Reduced:	SF3N3O4C18H22 (1)
Stoich.:	AB3C3D4E18F22 (1)
Weight, g/mol:	433.128312
ΔH_f, kcal/mol:	-297.97
Dipole, Da:	5.1
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)OCC

DOS

IR

Vibrations