Geometry & MOs

Info

ID:

302403

PubChem CID:

124361587

Reduced:

N5O6C26H39 (1)

Stoich.:

A5B6C26D39 (1)

Weight, g/mol:

517.290034

ΔHf, kcal/mol:

-281.01

Dipole, Da:

3.18

IP(EA), eV:

 -9.72(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1(CCCCC1)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations