Geometry & MOs

Info

ID:	121527
PubChem CID:	50771966
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	425.098017
ΔH_f, kcal/mol:	10.1
Dipole, Da:	3.2
IP(EA), eV:	-7.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations