Geometry & MOs

Info

ID:	233536
PubChem CID:	91145360
Reduced:	FSN3O4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	458.184172
ΔH_f, kcal/mol:	-181.19
Dipole, Da:	7.85
IP(EA), eV:	-8.97(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-cyclohexyl-4,5-dihydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrol-3-yl]-[4-(hydroxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)CC(C)(C)C)N2C=CC3=C2C=CC=C3F

DOS

IR

Vibrations