Geometry & MOs

Info

ID:	205222
PubChem CID:	80071411
Reduced:	NSO3C14H29 (1)
Stoich.:	ABC3D14E29 (1)
Weight, g/mol:	252.07933
ΔH_f, kcal/mol:	-181.92
Dipole, Da:	8.31
IP(EA), eV:	-9.4(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methyl-4-oxopyrazolo[3,4-d]triazin-3-yl)butanethioamide

Drug info:

PubChemData

Smile

CC(C)NCCC(C)(C1CCCC(C1)S(=O)(=O)C)O

DOS

IR

Vibrations