Geometry & MOs

Info

ID:	188215
PubChem CID:	77682181
Reduced:	NO3C14H19 (2)
Stoich.:	AB3C14D19 (2)
Weight, g/mol:	514.211073
ΔH_f, kcal/mol:	-223.27
Dipole, Da:	5.55
IP(EA), eV:	-8.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[4-[3-(4-sulfamoylanilino)-1,2,4-triazol-3-yl]pyridin-2-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=CC=C2C#CC3CCN(CC3)CC4CCCNC4=O.C(=O)(C(=O)O)O

DOS

IR

Vibrations