Geometry & MOs

Info

ID:	65307
PubChem CID:	29212001
Reduced:	OSN6C26H26 (1)
Stoich.:	ABC6D26E26 (1)
Weight, g/mol:	318.176585
ΔH_f, kcal/mol:	99.22
Dipole, Da:	3.33
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-methyl-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=NNC2=NC(=NN2)SCCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations