Geometry & MOs

Info

ID:

161903

PubChem CID:

57393012

Reduced:

SN2O4H24C31 (1)

Stoich.:

AB2C4D24E31 (1)

Weight, g/mol:

583.359451

ΔHf, kcal/mol:

-38.97

Dipole, Da:

6.96

IP(EA), eV:

 -8.17(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-amino-3-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[(2-methyl-1-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2H-tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2C(=O)/C=C/C3=C4C=CC=CC4=CC5=CC=CC=C53

DOS

IR

Vibrations