Geometry & MOs

Info

ID:	402157
PubChem CID:	135054680
Reduced:	PN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	313.068113
ΔH_f, kcal/mol:	-218.57
Dipole, Da:	4.51
IP(EA), eV:	-8.31(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-carboxy-2,2-bis(4-fluorophenyl)ethyl]azanium;chloride

Drug info:

PubChemData

Smile

CCCCCC12[C@@H](CC(=O)N1CCC3=C2NC4=CC=CC=C34)P(=O)(OC)OC

DOS

IR

Vibrations