Geometry & MOs

Info

ID:

46848

PubChem CID:

10527832

Reduced:

N3O5H23C26 (1)

Stoich.:

A3B5C23D26 (1)

Weight, g/mol:

457.232519

ΔHf, kcal/mol:

-95.4

Dipole, Da:

10.15

IP(EA), eV:

 -9.31(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,8aR)-6-[(2-acetamidoacetyl)amino]-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)CN3C4=C(C=C(C=C4)CCNCC5=CC=CC=C5)OC3=O)OC1=O

DOS

IR

Vibrations