Geometry & MOs

Info

ID:	33654
PubChem CID:	7887351
Reduced:	OS2F3N3H14C17 (1)
Stoich.:	AB2C3D3E14F17 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	-116.7
Dipole, Da:	5.81
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)NC3=C(C(=C(C=C3)F)F)F)C

DOS

IR

Vibrations