Geometry & MOs

Info

ID:	136319
PubChem CID:	52018852
Reduced:	FOSCl2N2H13C20 (1)
Stoich.:	ABCD2E2F13G20 (1)
Weight, g/mol:	418.010968
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	3.07
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CN2C3=C(C=C2C(=O)NC4=C(C(=CC=C4)Cl)Cl)SC=C3

DOS

IR

Vibrations