Geometry & MOs

Info

ID:

132582

PubChem CID:

51383330

Reduced:

SO3N4H27C28 (1)

Stoich.:

AB3C4D27E28 (1)

Weight, g/mol:

488.134777

ΔHf, kcal/mol:

34.85

Dipole, Da:

3.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.023306

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3aR,6aR)-3-naphthalen-1-yl-2-phenyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C3=C(C4=CC=CC=C4O2)NC5=[N+]([C@H]3C6=CC(=C(C=C6)OC)OC)NC(=N5)SC

DOS

IR

Vibrations