Geometry & MOs

Info

ID:	67521
PubChem CID:	46506634
Reduced:	FNS2O3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	3.29
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-benzylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)C2=C(C=CS2)N(S1(=O)=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations