Geometry & MOs

Info

ID:	12106
PubChem CID:	130228
Reduced:	FIO2N3C26H29 (1)
Stoich.:	ABC2D3E26F29 (1)
Weight, g/mol:	561.12885
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	5.05
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(3-iodoprop-2-enyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC=CI)CCCC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations