Geometry & MOs

Info

ID:	127297
PubChem CID:	50997523
Reduced:	ClO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	299.060759
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	4.88
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(3S)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC(=CC2=C1OC(=C3CCNCC3)C(=O)N2)Cl

DOS

IR

Vibrations