Geometry & MOs

Info

ID:	136235
PubChem CID:	52004462
Reduced:	FSO2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	384.136845
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	3.88
IP(EA), eV:	-8.4(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)NCC(=O)N(C)CC3=CC=C(C=C3)F)SC=C2

DOS

IR

Vibrations