Geometry & MOs

Info

ID:

421041

PubChem CID:

135115274

Reduced:

FN4O4C18H21 (1)

Stoich.:

AB4C4D18E21 (1)

Weight, g/mol:

616.258023

ΔHf, kcal/mol:

-123.64

Dipole, Da:

4.26

IP(EA), eV:

 -9.29(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-21-methyl-17-(2-methylsulfanylethyl)-11-(quinoxaline-2-carbonyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

C[C@H]1CN(CC(=O)N1)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations