Geometry & MOs

Info

ID:	121528
PubChem CID:	50772005
Reduced:	O2S2N5H19C20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	425.098017
ΔH_f, kcal/mol:	39.15
Dipole, Da:	4.95
IP(EA), eV:	-9.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)sulfanyl]-N-(3-phenylpropyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CS4)C

DOS

IR

Vibrations