Geometry & MOs

Info

ID:	33705
PubChem CID:	7887555
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	32.25
Dipole, Da:	5.45
IP(EA), eV:	-8.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=NC4=C3C(=C(S4)C)C

DOS

IR

Vibrations