Geometry & MOs

Info

ID:	421977
PubChem CID:	135116950
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	380.126674
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	3.24
IP(EA), eV:	-9.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)CCCC2=NC(=NO2)C3=CC=NC=C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations