Geometry & MOs

Info

ID:	402140
PubChem CID:	135054584
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	413.148321
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	3.15
IP(EA), eV:	-9.47(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-[(S)-hydroxy(phenyl)methyl]-4-methylpentan-1-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(=O)C1[C@H](C3=CC=CC=C3)O

DOS

IR

Vibrations