Geometry & MOs

Info

ID:	121927
PubChem CID:	50786680
Reduced:	SO4N6H20C24 (1)
Stoich.:	AB4C6D20E24 (1)
Weight, g/mol:	344.094312
ΔH_f, kcal/mol:	-5.6
Dipole, Da:	4.62
IP(EA), eV:	-8.6(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(4-ethylphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=NC(=NO4)C5=CC=NC=C5)C

DOS

IR

Vibrations