Geometry & MOs

Info

ID:	130959
PubChem CID:	51135809
Reduced:	ClN4O5C18H21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	416.137005
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	5.12
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)CN(CC(=O)NC1=CC=NN1CC2=CC=CC=C2Cl)CC(=O)OC

DOS

IR

Vibrations