Geometry & MOs

Info

ID:	36769
PubChem CID:	8012462
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-68.37
Dipole, Da:	5.63
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations