Geometry & MOs

Info

ID:	430629
PubChem CID:	135170695
Reduced:	SO2N3C8H9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	5.73
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) propanoate

Drug info:

PubChemData

Smile

CC1=CC(N(C1=O)C2=NC(=NS2)C)O

DOS

IR

Vibrations