Geometry & MOs

Info

ID:	192579
PubChem CID:	78287320
Reduced:	BrSO2N4C20H25 (1)
Stoich.:	ABC2D4E20F25 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-4.16
Dipole, Da:	3.51
IP(EA), eV:	-9.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylamino)ethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C=CCN1C2NN=C(N2C3CCCCC3C1=O)SCCOC4=CC(=CC=C4)Br

DOS

IR

Vibrations