Geometry & MOs

Info

ID:

414687

PubChem CID:

135087646

Reduced:

FN2O4C17H21 (1)

Stoich.:

AB2C4D17E21 (1)

Weight, g/mol:

626.27405

ΔHf, kcal/mol:

-140.79

Dipole, Da:

4.23

IP(EA), eV:

 -8.99(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[1-(2-methylbenzoyl)piperidine-4-carbonyl]-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

CC(C)CCN(C)C1=NOC(=C1C(=O)O)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations