Geometry & MOs

Info

ID:

309361

PubChem CID:

126545654

Reduced:

N2O3C16H20 (2)

Stoich.:

A2B3C16D20 (2)

Weight, g/mol:

548.263485

ΔHf, kcal/mol:

-209.21

Dipole, Da:

5.22

IP(EA), eV:

 -9.55(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (7R,12E,15S)-3,8-dioxo-15-(phenylmethoxycarbonylamino)-2,5,9-triazatricyclo[14.3.1.02,7]icosa-1(19),12,16(20),17-tetraene-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](N(C(=O)C1)C2=CC=CC(=C2)[C@H](CC=C)NC(=O)OCC3=CC=CC=C3)C(=O)NCCC=C

DOS

IR

Vibrations