Geometry & MOs

Info

ID:	80288
PubChem CID:	49833851
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	242.174276
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	3.0
IP(EA), eV:	-8.87(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-1-[(2S)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)[C@@H](CSCC2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations