Geometry & MOs

Info

ID:	53517
PubChem CID:	14716428
Reduced:	SO4C11H13 (2)
Stoich.:	AB4C11D13 (2)
Weight, g/mol:	677.382872
ΔH_f, kcal/mol:	-263.25
Dipole, Da:	6.99
IP(EA), eV:	-9.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-4-[4-(hydroxymethyl)-5-methyl-2-phenylpyrazol-3-yl]oxy-N-(4-tetradecoxyphenyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)S(=O)(=O)OCCOCCCOCOS(=O)(=O)C2=CC=C(C=C2)C=C

DOS

IR

Vibrations