Geometry & MOs

Info

ID:	139546
PubChem CID:	52553449
Reduced:	O3N4H24C26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	446.169785
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	7.07
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations