Geometry & MOs

Info

ID:

13717

PubChem CID:

397168

Reduced:

N4O4C29H34 (1)

Stoich.:

A4B4C29D34 (1)

Weight, g/mol:

502.258006

ΔHf, kcal/mol:

-146.6

Dipole, Da:

1.01

IP(EA), eV:

 -8.54(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-[(8S)-4,7-dioxo-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCC1C(=O)N2[C@@H](CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1

DOS

IR

Vibrations