Geometry & MOs

Info

ID:	304423
PubChem CID:	124590106
Reduced:	OSN6C13H18 (1)
Stoich.:	ABC6D13E18 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	34.86
Dipole, Da:	5.97
IP(EA), eV:	-9.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)C(=O)CC2=CSC(=N2)C3=NC=NN3

DOS

IR

Vibrations