Geometry & MOs

Info

ID:

420497

PubChem CID:

135113484

Reduced:

SO3N8C29H42 (1)

Stoich.:

AB3C8D29E42 (1)

Weight, g/mol:

506.275387

ΔHf, kcal/mol:

-47.08

Dipole, Da:

5.08

IP(EA), eV:

 -8.5(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-[(2-aminopyridin-3-yl)methyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1)C)CN2CCCNC(=O)[C@@H](NC(=O)C3=C(C=CC(=C3)OCCCN4C=C(C2)N=N4)C)CCSC

DOS

IR

Vibrations