Geometry & MOs

Info

ID:	139868
PubChem CID:	52610124
Reduced:	FO2S2N3C22H28 (1)
Stoich.:	AB2C2D3E22F28 (1)
Weight, g/mol:	450.168523
ΔH_f, kcal/mol:	-92.22
Dipole, Da:	3.97
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(1S)-2-[[(3S,6R)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carbonyl]amino]-1-thiophen-3-ylethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)[C@@H](CNC(=O)[C@H]1CS[C@@H](C(=O)N1)CC2=CC=CC=C2F)C3=CSC=C3

DOS

IR

Vibrations