Geometry & MOs

Info

ID:	339947
PubChem CID:	127261956
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	1.48
IP(EA), eV:	-8.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(2,2-dimethylpropanoyl)-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C/C(=C(/C2=CC=CC=C2)\N[C@@H](CCSC)C(=O)O)/C(=O)C=C1

DOS

IR

Vibrations