Geometry & MOs

Info

ID:

420780

PubChem CID:

135114803

Reduced:

O4N5C16H19 (1)

Stoich.:

A4B5C16D19 (1)

Weight, g/mol:

671.28676

ΔHf, kcal/mol:

-57.89

Dipole, Da:

2.12

IP(EA), eV:

 -9.92(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-14-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-6-(5-methyl-1,2-oxazole-3-carbonyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)NCC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations