Geometry & MOs

Info

ID:	157309
PubChem CID:	56422786
Reduced:	FO2S2N4H15C20 (1)
Stoich.:	AB2C2D4E15F20 (1)
Weight, g/mol:	459.146407
ΔH_f, kcal/mol:	10.6
Dipole, Da:	3.24
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CN=C(O2)CCC(=O)NC3=CC=CC=C3SC4=NN=CS4)F

DOS

IR

Vibrations