Geometry & MOs

Info

ID:	138757
PubChem CID:	52421584
Reduced:	ON2S2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	362.190223
ΔH_f, kcal/mol:	-3.72
Dipole, Da:	2.66
IP(EA), eV:	-9.11(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CS1)NC(=O)N2CCC[C@@H]2C3=CC=CS3

DOS

IR

Vibrations