Geometry & MOs

Info

ID:

391761

PubChem CID:

135009314

Reduced:

N2O4H22C23 (1)

Stoich.:

A2B4C22D23 (1)

Weight, g/mol:

872.457159

ΔHf, kcal/mol:

-86.01

Dipole, Da:

2.25

IP(EA), eV:

 -8.42(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2R)-2-[2-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-2-[2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]oxy-3-phenylpropanoyl]amino]pentanoyl]amino]acetyl]oxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

COCN1C2=CC=CC=C2C3=C(C(=CC(=C3C1=O)OC)NC4=CC=CC=C4)OC

DOS

IR

Vibrations