Geometry & MOs

Info

ID:	49589
PubChem CID:	11533319
Reduced:	N2S2O5H22C25 (1)
Stoich.:	A2B2C5D22E25 (1)
Weight, g/mol:	494.258086
ΔH_f, kcal/mol:	-80.49
Dipole, Da:	4.74
IP(EA), eV:	-9.15(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;(2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C3=NN=C(O3)C4=CC=CC=C4OC5=CC=CC=C5)C

DOS

IR

Vibrations