Geometry & MOs

Info

ID:	84345
PubChem CID:	49865939
Reduced:	OS2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	576.086635
ΔH_f, kcal/mol:	-76.79
Dipole, Da:	2.72
IP(EA), eV:	-8.43(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[(4R,5R)-5-[(2-fluorophenyl)carbamoyl]-1,3-dioxolane-4-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CCSS(=O)CCC(C)C

DOS

IR

Vibrations