Geometry & MOs

Info

ID:	180096
PubChem CID:	76576226
Reduced:	O3F4N6H21C22 (1)
Stoich.:	A3B4C6D21E22 (1)
Weight, g/mol:	522.092868
ΔH_f, kcal/mol:	-181.08
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798149
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propan-2-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC[N+]1=C2C(=NC(=N2)C(F)(F)F)C(=O)N(C1=O)CCCCC3=NC(=NO3)C4=CC=CC=C4F

DOS

IR

Vibrations