Geometry & MOs

Info

ID:	309375
PubChem CID:	126545782
Reduced:	SN4O4C20H26 (1)
Stoich.:	AB4C4D20E26 (1)
Weight, g/mol:	546.214821
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	5.11
IP(EA), eV:	-9.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-3-oxopropyl) 4-[(N-[methyl(2-piperazin-1-ylethyl)sulfamoyl]anilino)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)C3=CN=CC=C3

DOS

IR

Vibrations