Geometry & MOs

Info

ID:

403236

PubChem CID:

135059308

Reduced:

SO3N4H22C28 (1)

Stoich.:

AB3C4D22E28 (1)

Weight, g/mol:

452.139738

ΔHf, kcal/mol:

86.18

Dipole, Da:

6.07

IP(EA), eV:

 -9.07(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-(4-chlorophenyl)-8-(dimethylaminomethylidene)-9,11-dimethyl-7-oxo-1-thia-3,4,6,10,11-pentazaspiro[4.6]undec-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=C1N2C(=O)CSC23N(C(=NO3)C4=CC=CC=C4)C5=CC=CC=C5)/C=C/C6=CC=CC=C6

DOS

IR

Vibrations