Geometry & MOs

Info

ID:	142216
PubChem CID:	53001744
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	406.115127
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	2.66
IP(EA), eV:	-8.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC2=C3C=C(C=CC3=NC=C2C(=O)N4CCCC4)F

DOS

IR

Vibrations