Geometry & MOs

Info

ID:	339983
PubChem CID:	127261992
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	380.242356
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	2.96
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-1-amino-1-oxopropan-2-yl]-1-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](NCS1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations