Geometry & MOs

Info

ID:	367471
PubChem CID:	127324774
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	4.58
IP(EA), eV:	-8.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CCC(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3)C

DOS

IR

Vibrations