Geometry & MOs

Info

ID:	244575
PubChem CID:	99368058
Reduced:	NF2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-228.04
Dipole, Da:	6.91
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxyphenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonyl-N-propylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations