Geometry & MOs

Info

ID:	164773
PubChem CID:	74451042
Reduced:	SO2N5C24H37 (1)
Stoich.:	AB2C5D24E37 (1)
Weight, g/mol:	481.251147
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	8.94
IP(EA), eV:	-8.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-[[5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

COCCNC(=S)NCC1CC2CCN1CC2CN3CC4CC(C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations