Geometry & MOs

Info

ID:

392209

PubChem CID:

135013687

Reduced:

N4O7C29H38 (1)

Stoich.:

A4B7C29D38 (1)

Weight, g/mol:

536.263485

ΔHf, kcal/mol:

-259.09

Dipole, Da:

6.77

IP(EA), eV:

 -9.44(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(5S,10aR)-8-(benzylcarbamoyl)-3,6-dioxo-2-phenylmethoxy-4,5,8,9,10,10a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazocin-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC(=O)NOCC1=CC=CC=C1)C(=O)N2[C@H](CCC2C(=O)NCC3=CC=CC=C3)CO

DOS

IR

Vibrations