Geometry & MOs

Info

ID:

221768

PubChem CID:

85286123

Reduced:

O5C40H58 (1)

Stoich.:

A5B40C58 (1)

Weight, g/mol:

619.260626

ΔHf, kcal/mol:

-218.93

Dipole, Da:

2.99

IP(EA), eV:

 -9.03(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(3,4-difluorophenyl)propyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC6(C5(C)COCC7=CC=CC=C7)OCCO6)C)C)C2C1C)C)C(=O)OC

DOS

IR

Vibrations