Geometry & MOs

Info

ID:	156187
PubChem CID:	56369442
Reduced:	ClSO3N4C24H27 (1)
Stoich.:	ABC3D4E24F27 (1)
Weight, g/mol:	471.205259
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	7.68
IP(EA), eV:	-9.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl

DOS

IR

Vibrations