Geometry & MOs

Info

ID:

383423

PubChem CID:

134975135

Reduced:

N3O7C37H45 (1)

Stoich.:

A3B7C37D45 (1)

Weight, g/mol:

326.199428

ΔHf, kcal/mol:

-285.22

Dipole, Da:

5.02

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1S,10S,15S)-11,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,8-tetraene-17-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(CCC(=O)O)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations