Geometry & MOs

Info

ID:

215525

PubChem CID:

85084864

Reduced:

O10C25H39 (2)

Stoich.:

A10B25C39 (2)

Weight, g/mol:

998.570172

ΔHf, kcal/mol:

-943.09

Dipole, Da:

4.74

IP(EA), eV:

 -9.59(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-amino-3-phenylpropanoyl)amino]-N-[1-[[1-[[1-[[2-[[1-[(5-hydroxy-2-methylnonan-4-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)OC(C(C(=O)OC)O)OCC(=O)OC)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C

DOS

IR

Vibrations