Geometry & MOs

Info

ID:	221603
PubChem CID:	85285460
Reduced:	O14C23H28 (1)
Stoich.:	A14B23C28 (1)
Weight, g/mol:	528.141376
ΔH_f, kcal/mol:	-569.45
Dipole, Da:	5.52
IP(EA), eV:	-9.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-methyl-5-oxo-4-[[4-[(1-phenylpyrrol-3-yl)sulfamoyl]phenyl]hydrazinylidene]pyrazole-1-carboximidoyl]azanium;nitric acid

Drug info:

PubChemData

Smile

CC12CC3(C4CC1(C4(C(O2)O3)CO)OC5C(C(C(C(O5)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O

DOS

IR

Vibrations