Geometry & MOs

Info

ID:	171437
PubChem CID:	75377159
Reduced:	ClOSN4C20H23 (1)
Stoich.:	ABCD4E20F23 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	57.69
Dipole, Da:	8.74
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)CCSC3=C4C=CC(=CC4=NC=C3)Cl

DOS

IR

Vibrations