Geometry & MOs

Info

ID:	399660
PubChem CID:	135041566
Reduced:	SO4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-159.93
Dipole, Da:	6.49
IP(EA), eV:	-10.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H](C)CCC=C)O

DOS

IR

Vibrations