Geometry & MOs

Info

ID:

340016

PubChem CID:

127262025

Reduced:

N6O6C29H42 (1)

Stoich.:

A6B6C29D42 (1)

Weight, g/mol:

594.232579

ΔHf, kcal/mol:

-284.42

Dipole, Da:

3.05

IP(EA), eV:

 -8.27(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-2-[(4-methyl-2-oxochromen-7-yl)-[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations