Geometry & MOs

Info

ID:	143604
PubChem CID:	53234897
Reduced:	SO2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	57.9
Dipole, Da:	3.83
IP(EA), eV:	-9.06(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CC1C2=CN=NN2C3=NC4=C(S3)CCOC5=C4C=CC(=C5)C(=O)N

DOS

IR

Vibrations