Geometry & MOs

Info

ID:

436693

PubChem CID:

135207595

Reduced:

Cl2N3O5C41H44 (1)

Stoich.:

A2B3C5D41E44 (1)

Weight, g/mol:

488.242356

ΔHf, kcal/mol:

-140.81

Dipole, Da:

3.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.506962

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide

Drug info:

PubChemData

Smile

CC1(C2=CC3=[N+](CCCC3=CC2=C(C4=C1C=C5C(=C4)CCCN5CCCCCC(=O)ON6C(=C)CCC6=O)C7=C(C=CC(=C7C(=O)O)Cl)Cl)C)C

DOS

IR

Vibrations