Geometry & MOs

Info

ID:	121929
PubChem CID:	50786692
Reduced:	SN4O4H18C22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	364.066383
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	5.17
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C(=C2)C(=O)NN=C3SCC(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations