Geometry & MOs

Info

ID:

403724

PubChem CID:

135061509

Reduced:

NPO2C23H24 (1)

Stoich.:

ABC2D23E24 (1)

Weight, g/mol:

555.294451

ΔHf, kcal/mol:

-32.03

Dipole, Da:

2.51

IP(EA), eV:

 -8.7(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,21S,24S)-21-tert-butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9,13-tetraene-24-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CC=C)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations