Geometry & MOs

Info

ID:	68960
PubChem CID:	46513712
Reduced:	ON4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	396.09662
ΔH_f, kcal/mol:	56.15
Dipole, Da:	4.12
IP(EA), eV:	-8.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)NC(=O)CC3=CC=CC4=CC=CC=C43)C

DOS

IR

Vibrations