Geometry & MOs

Info

ID:	63398
PubChem CID:	26758241
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	417.147075
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	6.12
IP(EA), eV:	-9.72(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-methyl-5-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations