Geometry & MOs

Info

ID:	348547
PubChem CID:	127273658
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-34.46
Dipole, Da:	5.13
IP(EA), eV:	-9.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C(C)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations