Geometry & MOs

Info

ID:	138382
PubChem CID:	52357839
Reduced:	ON3S3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	289.191603
ΔH_f, kcal/mol:	54.66
Dipole, Da:	4.17
IP(EA), eV:	-8.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[[(2S)-oxolan-2-yl]methyl]-[2-oxo-2-(prop-2-enylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)S[C@H](C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations