Geometry & MOs

Info

ID:

180840

PubChem CID:

76693303

Reduced:

N6O14C55H74 (1)

Stoich.:

A6B14C55D74 (1)

Weight, g/mol:

570.116934

ΔHf, kcal/mol:

-554.85

Dipole, Da:

6.24

IP(EA), eV:

 -8.6(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-3,5-dimethyl-1,3-oxazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCNC(=O)COCC(=O)OC1CC(OC1C)N2C=C(C(NC2=O)NCCCOCCOCCOCCCNC(=O)OCCN(C)C(=O)C3=CC=CC=C3C4=C5C=C(C(=O)C=C5OC6=C4C=C(C(=C6)C)C)C)C

DOS

IR

Vibrations