Geometry & MOs

Info

ID:	140365
PubChem CID:	52687380
Reduced:	O2S2N5C21H25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	380.233802
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	8.94
IP(EA), eV:	-8.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[[3-[[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)CCCC(=O)NC2=NC(=CS2)CC3=NNC(=S)N3C)C

DOS

IR

Vibrations