Geometry & MOs

Info

ID:	125963
PubChem CID:	50945929
Reduced:	ClFON6C18H22 (1)
Stoich.:	ABCD6E18F22 (1)
Weight, g/mol:	367.156577
ΔH_f, kcal/mol:	-48.78
Dipole, Da:	5.11
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCNC1=NC(=CC(=N1)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl)C

DOS

IR

Vibrations