Geometry & MOs

Info

ID:	156225
PubChem CID:	56369699
Reduced:	SF2N3O3H17C22 (1)
Stoich.:	AB2C3D3E17F22 (1)
Weight, g/mol:	403.08954
ΔH_f, kcal/mol:	-96.19
Dipole, Da:	7.13
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC2=NC3=CC(=C(C=C3S2)F)F)OCC4=CC=NC=C4

DOS

IR

Vibrations