Geometry & MOs

Info

ID:	57638
PubChem CID:	22428885
Reduced:	SN3O3C26H31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	448.057918
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	4.11
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dichlorophenyl)-3-sulfanylidene-1,4-diazaspiro[4.6]undec-1-en-4-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3(CCCCC3)N=C2C4=CC(=CC(=C4)OC)OC)C

DOS

IR

Vibrations