Geometry & MOs

Info

ID:	61795
PubChem CID:	26713189
Reduced:	ON3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	422.146427
ΔH_f, kcal/mol:	31.69
Dipole, Da:	4.03
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)/C=C/C(=O)N[C@H](C)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations