Geometry & MOs

Info

ID:	415459
PubChem CID:	135088454
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	357.135842
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	6.69
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCN3C=NC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations