Geometry & MOs

Info

ID:	164214
PubChem CID:	74382374
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	565.94214
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	7.94
IP(EA), eV:	-8.49(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)C4CCCCN4)OC

DOS

IR

Vibrations