Geometry & MOs

Info

ID:	121513
PubChem CID:	50771841
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	427.077282
ΔH_f, kcal/mol:	-52.56
Dipole, Da:	2.63
IP(EA), eV:	-8.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1CCN(CC1)C2=NN=C(C=C2)N3CCCCC3

DOS

IR

Vibrations