Geometry & MOs

Info

ID:	36872
PubChem CID:	8014079
Reduced:	BrN2O4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	402.070799
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	3.35
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations