Geometry & MOs

Info

ID:	121523
PubChem CID:	50771951
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	363.082367
ΔH_f, kcal/mol:	-68.87
Dipole, Da:	4.61
IP(EA), eV:	-7.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)C1CCN(CC1)C2=NN=C(C=C2)N3CCCCC3

DOS

IR

Vibrations