Geometry & MOs

Info

ID:

404895

PubChem CID:

135071676

Reduced:

ClN2O4C23H27 (1)

Stoich.:

AB2C4D23E27 (1)

Weight, g/mol:

500.303893

ΔHf, kcal/mol:

-87.6

Dipole, Da:

5.08

IP(EA), eV:

 -9.3(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,11S)-3-ethenyl-14-hept-5-ynyl-4-hex-5-enoyl-8-pent-3-ynyl-7-oxa-4,14-diazatetracyclo[9.4.0.01,5.06,10]pentadeca-6(10),8-dien-15-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)Cl)N(CC#C)C2C3C=CC(C2C(=O)OC)O3

DOS

IR

Vibrations