Geometry & MOs

Info

ID:	120790
PubChem CID:	50744593
Reduced:	ClOSN4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	438.188961
ΔH_f, kcal/mol:	45.47
Dipole, Da:	6.04
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-[[2-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations