Geometry & MOs

Info

ID:	40007
PubChem CID:	8143399
Reduced:	FSN4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	7.12
Dipole, Da:	5.02
IP(EA), eV:	-8.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C

DOS

IR

Vibrations