Geometry & MOs

Info

ID:	194098
PubChem CID:	78482628
Reduced:	ON5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	366.03604
ΔH_f, kcal/mol:	45.79
Dipole, Da:	13.89
IP(EA), eV:	-7.3(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dichlorophenyl)methylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C[NH+]2CNC(=[NH+]C2)NC#N

DOS

IR

Vibrations