Geometry & MOs

Info

ID:	227885
PubChem CID:	87562852
Reduced:	SO2N4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	405.251523
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	6.99
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylaminomethyl)-4-(7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl)phenol

Drug info:

PubChemData

Smile

CN(C1=CN=CC(=C1)C2=CC3=C(C=C2)N=C(S3)N)C(=O)O

DOS

IR

Vibrations