Geometry & MOs

Info

ID:

414450

PubChem CID:

135087408

Reduced:

NO3F4C14H15 (1)

Stoich.:

AB3C4D14E15 (1)

Weight, g/mol:

536.227099

ΔHf, kcal/mol:

-323.5

Dipole, Da:

8.41

IP(EA), eV:

 -9.84(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[3-(2-oxopyrrolidin-1-yl)propanoyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=C(C(=CC=C2)F)C(F)(F)F

DOS

IR

Vibrations