Geometry & MOs

Info

ID:	31761
PubChem CID:	3718001
Reduced:	BrClOSF2N4H14C18 (1)
Stoich.:	ABCDE2F4G14H18 (1)
Weight, g/mol:	444.99179
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	4.76
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichlorophenyl)methoxy]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations