Geometry & MOs

Info

ID:

418895

PubChem CID:

135107088

Reduced:

FON4C17H19 (1)

Stoich.:

ABC4D17E19 (1)

Weight, g/mol:

534.211449

ΔHf, kcal/mol:

-19.76

Dipole, Da:

5.61

IP(EA), eV:

 -8.76(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-13-methoxy-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

CC1=NC=C(N1)CN(CCO)CC2=NC3=C(C=CC=C3F)C=C2

DOS

IR

Vibrations