Geometry & MOs

Info

ID:	139936
PubChem CID:	52620044
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	460.92312
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	6.3
IP(EA), eV:	-8.65(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC=C1NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

DOS

IR

Vibrations