Geometry & MOs

Info

ID:

403204

PubChem CID:

135059161

Reduced:

N3O17C25H35 (1)

Stoich.:

A3B17C25D35 (1)

Weight, g/mol:

386.060425

ΔHf, kcal/mol:

-654.39

Dipole, Da:

10.33

IP(EA), eV:

 -10.12(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetyl-1-(4-chlorophenyl)-4-phenyl-6-thia-1,2,4,9-tetrazaspiro[4.4]non-2-en-8-one

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@@H](C1O)O)CO[C@@]2(C[C@H]([C@H](C(O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations