Geometry & MOs

Info

ID:

219166

PubChem CID:

85091165

Reduced:

N5O9C31H63 (1)

Stoich.:

A5B9C31D63 (1)

Weight, g/mol:

651.275607

ΔHf, kcal/mol:

-482.94

Dipole, Da:

4.28

IP(EA), eV:

 -9.43(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[2,3-dihydro-1H-inden-2-yl-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]-2,2-difluoro-3-hydroxy-5-phenylpentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)O.CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)O

DOS

IR

Vibrations