Geometry & MOs

Info

ID:	233990
PubChem CID:	92297481
Reduced:	NO6H19C22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	416.209341
ΔH_f, kcal/mol:	-172.68
Dipole, Da:	1.93
IP(EA), eV:	-8.98(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3S)-3-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=N/C(=C/C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)/C(=O)O2)C

DOS

IR

Vibrations