Geometry & MOs

Info

ID:	33913
PubChem CID:	7888708
Reduced:	OSN3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	50.12
Dipole, Da:	6.07
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylamino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC2=C(CCC2)C=C1)SC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations