Geometry & MOs

Info

ID:	36157
PubChem CID:	7980830
Reduced:	SN3O3H15C20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	6.11
IP(EA), eV:	-8.58(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations