Geometry & MOs

Info

ID:	32742
PubChem CID:	7847744
Reduced:	BrClNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	369.046939
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	2.88
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2Br

DOS

IR

Vibrations