Geometry & MOs

Info

ID:	418209
PubChem CID:	135103874
Reduced:	SO3N4C12H20 (1)
Stoich.:	AB3C4D12E20 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	4.45
IP(EA), eV:	-9.44(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N'-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanediamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations