Geometry & MOs

Info

ID:	447599
PubChem CID:	135284141
Reduced:	S2O3F4N5C21H21 (1)
Stoich.:	A2B3C4D5E21F21 (1)
Weight, g/mol:	363.111599
ΔH_f, kcal/mol:	-219.75
Dipole, Da:	10.63
IP(EA), eV:	-9.14(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5Z)-5-[(S)-tert-butylsulfinyl]imino-5-phenyl-3-(trifluoromethyl)pentanoic acid

Drug info:

PubChemData

Smile

C1CN([C@@H](C[C@@H]1C(F)(F)F)C2=CC=NN2)[C@@H]3CCOC4=CC(=C(C=C34)F)S(=O)(=O)NC5=NC=CS5

DOS

IR

Vibrations