Geometry & MOs

Info

ID:	136316
PubChem CID:	52018525
Reduced:	S2O3N6H17C20 (1)
Stoich.:	A2B3C6D17E20 (1)
Weight, g/mol:	368.079491
ΔH_f, kcal/mol:	46.58
Dipole, Da:	13.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.857574
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CS4

DOS

IR

Vibrations