Geometry & MOs

Info

ID:	122770
PubChem CID:	50820887
Reduced:	ClF2O2N5H16C24 (1)
Stoich.:	AB2C2D5E16F24 (1)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	12.61
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(4-methoxyphenyl)-N-(2-piperazin-1-ylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NC(=N3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)N2CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations