Geometry & MOs

Info

ID:

44731

PubChem CID:

10505617

Reduced:

N4O6H26C27 (1)

Stoich.:

A4B6C26D27 (1)

Weight, g/mol:

502.279135

ΔHf, kcal/mol:

-155.07

Dipole, Da:

14.94

IP(EA), eV:

 -8.88(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[1,2-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]pentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N1)C=C3CC[C@@H](C3=C2)N(CC#C)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations