Geometry & MOs

Info

ID:	156002
PubChem CID:	56368726
Reduced:	BrN3O3C21H30 (1)
Stoich.:	AB3C3D21E30 (1)
Weight, g/mol:	443.06447
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	2.81
IP(EA), eV:	-8.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC(=C(C=C2)OCCN(CC)CC)OC)Br

DOS

IR

Vibrations