Geometry & MOs

Info

ID:	36684
PubChem CID:	8011054
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	323.101839
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	3.24
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)CCNC(=O)C3=CC=CO3

DOS

IR

Vibrations