Geometry & MOs

Info

ID:	137850
PubChem CID:	52272627
Reduced:	NO2S2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-44.7
Dipole, Da:	1.52
IP(EA), eV:	-8.91(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CS1)SC2=CC=C(C=C2)O

DOS

IR

Vibrations