Geometry & MOs

Info

ID:	23887
PubChem CID:	607011
Reduced:	ClNS2O3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	405.026013
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	5.87
IP(EA), eV:	-8.42(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

DOS

IR

Vibrations