Geometry & MOs

Info

ID:	126370
PubChem CID:	50962341
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	325.200156
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	5.74
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[4-(cyclopentylamino)-4-oxobutanoyl]-4-(dimethylamino)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CC[C@H]([C@@H](C2)O)C3=C(C=CS3)C

DOS

IR

Vibrations