Geometry & MOs

Info

ID:	69722
PubChem CID:	47205250
Reduced:	N2O3S3C11H12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	2.21
IP(EA), eV:	-9.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenyl-1H-pyrrol-3-yl)-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NCCC2=CC=C(S2)S(=O)(=O)N

DOS

IR

Vibrations