Geometry & MOs

Info

ID:	196641
PubChem CID:	78857102
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NC(C)CO

DOS

IR

Vibrations