Geometry & MOs

Info

ID:	140998
PubChem CID:	52798255
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	431.211687
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	5.73
IP(EA), eV:	-8.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCN(CCC1=CC=CC=N1)C(=O)[C@@H](C)OC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations