Geometry & MOs

Info

ID:

16538

PubChem CID:

472303

Reduced:

N4O8C31H42 (1)

Stoich.:

A4B8C31D42 (1)

Weight, g/mol:

598.300264

ΔHf, kcal/mol:

-317.27

Dipole, Da:

8.86

IP(EA), eV:

 -9.62(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3S)-2-[[2-[hydroxy-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)CN(C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations