Geometry & MOs

Info

ID:	133456
PubChem CID:	51530157
Reduced:	N2O2C18H27 (1)
Stoich.:	A2B2C18D27 (1)
Weight, g/mol:	477.226371
ΔH_f, kcal/mol:	-15.82
Dipole, Da:	1.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752034
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)CN(CCC[NH+](C)C)CC2=CC=CO2

DOS

IR

Vibrations