Geometry & MOs

Info

ID:

416735

PubChem CID:

135090205

Reduced:

FN2O5C19H21 (1)

Stoich.:

AB2C5D19E21 (1)

Weight, g/mol:

673.286011

ΔHf, kcal/mol:

-247.52

Dipole, Da:

2.33

IP(EA), eV:

 -9.66(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-22-methoxy-13-(3-methylimidazole-4-carbonyl)-5-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=CC(=O)NC3=C2C=CC(=C3)F)C(=O)O

DOS

IR

Vibrations