Geometry & MOs

Info

ID:	156159
PubChem CID:	56369347
Reduced:	SF2N2O4H22C24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	437.09502
ΔH_f, kcal/mol:	-178.07
Dipole, Da:	7.17
IP(EA), eV:	-9.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O)S(=O)(=O)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations