Geometry & MOs

Info

ID:	244651
PubChem CID:	99376228
Reduced:	SN3O7C21H31 (1)
Stoich.:	AB3C7D21E31 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-279.46
Dipole, Da:	3.98
IP(EA), eV:	-9.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(O3)C(=O)OCC

DOS

IR

Vibrations