Geometry & MOs

Info

ID:	149906
PubChem CID:	53789588
Reduced:	O5C10H11 (2)
Stoich.:	A5B10C11 (2)
Weight, g/mol:	534.077542
ΔH_f, kcal/mol:	-179.56
Dipole, Da:	5.15
IP(EA), eV:	-9.84(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methylsulfanyl-2-[[2-phenyl-4-(thiophen-2-ylmethylsulfinamoylsulfanylmethyl)benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C(=O)OC)(OO)OOC(C)(C2=CC=CC=C2C(=O)OC)OO

DOS

IR

Vibrations