Geometry & MOs

Info

ID:	197808
PubChem CID:	79000869
Reduced:	NSO6C8H13 (1)
Stoich.:	ABC6D8E13 (1)
Weight, g/mol:	284.137222
ΔH_f, kcal/mol:	-263.37
Dipole, Da:	7.2
IP(EA), eV:	-10.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(=O)N1C[C@@H](C[C@@H]1C(=O)O)O

DOS

IR

Vibrations