Geometry & MOs

Info

ID:	418380
PubChem CID:	135104447
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	357.147075
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	4.62
IP(EA), eV:	-8.56(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations