Geometry & MOs

Info

ID:	39999
PubChem CID:	8143378
Reduced:	FSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	410.225523
ΔH_f, kcal/mol:	47.69
Dipole, Da:	9.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.864227
Charge, e:	1

Chem-info

IUPAC name:

(5R)-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

DOS

IR

Vibrations