Geometry & MOs

Info

ID:	159325
PubChem CID:	57269569
Reduced:	FC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	467.21303
ΔH_f, kcal/mol:	-32.09
Dipole, Da:	2.34
IP(EA), eV:	-9.07(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[3-(4-butylphenyl)-2-methylsulfonyl-2-(1H-pyrrol-2-yl)propyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1CC=C(C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations