Geometry & MOs

Info

ID:	149796
PubChem CID:	53789473
Reduced:	SN2O6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	316.062613
ΔH_f, kcal/mol:	-212.99
Dipole, Da:	5.85
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-amino-2-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)N([C@H]1[C@H]2N(C1=O)C(C(S2)(C)C)C(=O)O)C3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations