Geometry & MOs

Info

ID:	245428
PubChem CID:	99444659
Reduced:	ClSN2F3O3H16C18 (1)
Stoich.:	ABC2D3E3F16G18 (1)
Weight, g/mol:	366.97002
ΔH_f, kcal/mol:	-229.28
Dipole, Da:	6.31
IP(EA), eV:	-9.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(5-bromothiophen-2-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)CNC(=O)/C=C\C2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations