Geometry & MOs

Info

ID:

309112

PubChem CID:

126537484

Reduced:

PN2O20C96H183 (1)

Stoich.:

AB2C20D96E183 (1)

Weight, g/mol:

259.168462

ΔHf, kcal/mol:

-1343.3

Dipole, Da:

8.97

IP(EA), eV:

 -10.01(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S,12S)-12-amino-6,14-diazatricyclo[11.3.1.02,4]heptadeca-1(17),13,15-trien-5-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1COC(C(C1O)O)COC([C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(CO)[C@H](C)OP(=O)(O)O

DOS

IR

Vibrations