Geometry & MOs

Info

ID:

417990

PubChem CID:

135103242

Reduced:

NO5C17H21 (1)

Stoich.:

AB5C17D21 (1)

Weight, g/mol:

617.264962

ΔHf, kcal/mol:

-173.2

Dipole, Da:

7.4

IP(EA), eV:

 -8.97(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)C

DOS

IR

Vibrations