Geometry & MOs

Info

ID:	68916
PubChem CID:	46511932
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-185.7
Dipole, Da:	7.33
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCC1=NC2=C(N1CC)C=CC(=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations