Geometry & MOs

Info

ID:	196144
PubChem CID:	78788497
Reduced:	ClOSN4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	350.035273
ΔH_f, kcal/mol:	51.47
Dipole, Da:	6.39
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloropyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

COCCCN1C(=NN=C1SCC#N)C2=CC=CC=C2Cl

DOS

IR

Vibrations