Geometry & MOs

Info

ID:	155782
PubChem CID:	56367542
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	423.207053
ΔH_f, kcal/mol:	-122.82
Dipole, Da:	5.05
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)CN(C)C(=O)C2=CC=CS2

DOS

IR

Vibrations