Geometry & MOs

Info

ID:

388935

PubChem CID:

134990642

Reduced:

SN2O4H16C20 (1)

Stoich.:

AB2C4D16E20 (1)

Weight, g/mol:

1041.452442

ΔHf, kcal/mol:

-86.63

Dipole, Da:

7.57

IP(EA), eV:

 -9.56(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations