Geometry & MOs

Info

ID:

215205

PubChem CID:

85084363

Reduced:

N5O10H33C41 (1)

Stoich.:

A5B10C33D41 (1)

Weight, g/mol:

755.377149

ΔHf, kcal/mol:

-236.37

Dipole, Da:

4.91

IP(EA), eV:

 -9.27(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[1-(2-amino-3-phenylmethoxypropanoyl)pyrrolidine-2-carbonyl]amino]-2-phenylethyl]-[3-[2-[(1-hydrazinyl-1-oxohexan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-oxopropyl]phosphinic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)C(COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

DOS

IR

Vibrations