Geometry & MOs

Info

ID:	311962
PubChem CID:	126599444
Reduced:	ClPSN5O9C14H21 (1)
Stoich.:	ABCD5E9F14G21 (1)
Weight, g/mol:	528.99933
ΔH_f, kcal/mol:	-377.83
Dipole, Da:	4.07
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[difluoro-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-3-methylpyrazolo[4,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)N)O)O)P(=O)(O)O

DOS

IR

Vibrations