Geometry & MOs

Info

ID:	33639
PubChem CID:	7887301
Reduced:	N2O2S2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	4.13
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCCOC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations