Geometry & MOs

Info

ID:	437373
PubChem CID:	135226182
Reduced:	SN2F3H3C6 (1)
Stoich.:	AB2C3D3E6 (1)
Weight, g/mol:	653.092294
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	2.39
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R,4S)-2-[[3-(5-carbamoyl-2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-(trifluoromethyl)thieno[3,2-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(SC2=C1NN=C2)C(F)(F)F

DOS

IR

Vibrations