Geometry & MOs

Info

ID:	128444
PubChem CID:	51044513
Reduced:	OSN7C18H27 (1)
Stoich.:	ABC7D18E27 (1)
Weight, g/mol:	392.066463
ΔH_f, kcal/mol:	38.18
Dipole, Da:	7.99
IP(EA), eV:	-9.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(S2)NC(=O)CC3(CCCCC3)CN4C=NN=N4

DOS

IR

Vibrations