Geometry & MOs

Info

ID:	309389
PubChem CID:	126545892
Reduced:	NH27C33 (1)
Stoich.:	AB27C33 (1)
Weight, g/mol:	518.219906
ΔH_f, kcal/mol:	118.3
Dipole, Da:	2.13
IP(EA), eV:	-7.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,6R)-4-[(5-methoxycarbonylpyridin-2-yl)methyl-phenylsulfamoyl]-2,6-dimethylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C\C=C\1/C(NC2=C(C=C(C=C12)C3=CC4=CC=CC=C4C=C3)C5=CC6=CC=CC=C6C=C5)C

DOS

IR

Vibrations