Geometry & MOs

Info

ID:	33909
PubChem CID:	7888690
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	4.26
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations