Geometry & MOs

Info

ID:	153371
PubChem CID:	56312558
Reduced:	BrSO2F3N4H12C13 (1)
Stoich.:	ABC2D3E4F12G13 (1)
Weight, g/mol:	479.99663
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	2.76
IP(EA), eV:	-9.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N'-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NNC(=O)C2=CC=C(S2)Br)C(F)(F)F

DOS

IR

Vibrations