Geometry & MOs

Info

ID:

416181

PubChem CID:

135089190

Reduced:

N4O4C25H38 (1)

Stoich.:

A4B4C25D38 (1)

Weight, g/mol:

741.348611

ΔHf, kcal/mol:

-156.43

Dipole, Da:

6.83

IP(EA), eV:

 -8.52(0.06)

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]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3CC3

DOS

IR

Vibrations