Geometry & MOs

Info

ID:	29121
PubChem CID:	831699
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	330.086056
ΔH_f, kcal/mol:	-40.01
Dipole, Da:	3.66
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylsulfanylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC(C)C

DOS

IR

Vibrations