Geometry & MOs

Info

ID:	359730
PubChem CID:	127299112
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	0.8
IP(EA), eV:	-8.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1NC2=CC=CC=C2)C(=O)C34CCC(=O)N3C5=CC=CC=C5S4

DOS

IR

Vibrations