Geometry & MOs

Info

ID:	195880
PubChem CID:	78745775
Reduced:	ClSN2O4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-140.7
Dipole, Da:	2.29
IP(EA), eV:	-8.71(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)Cl)OC)OC)C

DOS

IR

Vibrations