Geometry & MOs

Info

ID:	309385
PubChem CID:	126545869
Reduced:	SF2O4N6C23H30 (1)
Stoich.:	AB2C4D6E23F30 (1)
Weight, g/mol:	330.136176
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	5.23
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-4-imidazol-1-ylsulfonyl-2-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C)C)S(=O)(=O)N(CC2=NC=C(C=C2)C(=NN)OCC(F)F)C3=CC=CC=C3

DOS

IR

Vibrations