Geometry & MOs

Info

ID:	29153
PubChem CID:	832013
Reduced:	O3N5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	25.93
Dipole, Da:	6.4
IP(EA), eV:	-10.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2C(=CC(=N2)C)C

DOS

IR

Vibrations