Geometry & MOs

Info

ID:

45065

PubChem CID:

10507694

Reduced:

N5O7C31H39 (1)

Stoich.:

A5B7C31D39 (1)

Weight, g/mol:

594.30535

ΔHf, kcal/mol:

-284.5

Dipole, Da:

10.4

IP(EA), eV:

 -8.62(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-4-methyl-1-[3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CCC(=O)O

DOS

IR

Vibrations