Geometry & MOs

Info

ID:	29228
PubChem CID:	832449
Reduced:	FOSN3H16C18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	347.128821
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	0.98
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N=CC4=CC=C(C=C4)F

DOS

IR

Vibrations