Geometry & MOs

Info

ID:

423062

PubChem CID:

135118859

Reduced:

N2O2C13H24 (1)

Stoich.:

A2B2C13D24 (1)

Weight, g/mol:

679.358114

ΔHf, kcal/mol:

-125.29

Dipole, Da:

3.21

IP(EA), eV:

 -9.15(1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,7R,10S,13R,16S)-4-benzyl-10-[(1R)-1-hydroxyethyl]-13-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC[C@@]2(C1)CCC[C@H]2O)N

DOS

IR

Vibrations