Geometry & MOs

Info

ID:	155201
PubChem CID:	56322631
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	429.217618
ΔH_f, kcal/mol:	-4.36
Dipole, Da:	7.79
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations