Geometry & MOs

Info

ID:	57633
PubChem CID:	22428264
Reduced:	SN4O6H24C28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	409.162412
ΔH_f, kcal/mol:	-130.3
Dipole, Da:	10.59
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CN2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCC5=CC=CO5)SC=C3

DOS

IR

Vibrations