Geometry & MOs

Info

ID:	127298
PubChem CID:	50997524
Reduced:	ClOSN5C11H14 (1)
Stoich.:	ABCD5E11F14 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	12.94
Dipole, Da:	7.55
IP(EA), eV:	-9.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1CCN(C1)C2=C(C(=NS2)Cl)C#N)N

DOS

IR

Vibrations