Geometry & MOs

Info

ID:	33981
PubChem CID:	7889116
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	3.22
IP(EA), eV:	-9.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC(C)C)C3=CC=CC=C3

DOS

IR

Vibrations