Geometry & MOs

Info

ID:	33635
PubChem CID:	7887294
Reduced:	NS2O6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-191.35
Dipole, Da:	2.72
IP(EA), eV:	-8.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=CC=CC=C3S2)C(=O)OC)N

DOS

IR

Vibrations