Geometry & MOs

Info

ID:	132974
PubChem CID:	51455987
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	269.040502
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	2.93
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)C(=O)NC2=CC=CC=C2C(=O)NC3CC3

DOS

IR

Vibrations