Geometry & MOs

Info

ID:	417771
PubChem CID:	135102682
Reduced:	N6O6C37H54 (1)
Stoich.:	A6B6C37D54 (1)
Weight, g/mol:	331.100205
ΔH_f, kcal/mol:	-153.31
Dipole, Da:	6.59
IP(EA), eV:	-7.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC4CCN(CC4)C

DOS

IR

Vibrations