Geometry & MOs

Info

ID:

132953

PubChem CID:

51452138

Reduced:

SN2O4C21H22 (1)

Stoich.:

AB2C4D21E22 (1)

Weight, g/mol:

499.377392

ΔHf, kcal/mol:

-139.41

Dipole, Da:

4.55

IP(EA), eV:

 -9.13(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-7-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2,3,4,4a,5a,6,7,7a,8a,9,10,11,12,12a,13a,13b,14,14a-octadecahydro-1H-naphtho[3,2-a]phenoxazine-8,13-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

DOS

IR

Vibrations