Geometry & MOs

Info

ID:

224127

PubChem CID:

85338527

Reduced:

SF2N4O7C32H46 (1)

Stoich.:

AB2C4D7E32F46 (1)

Weight, g/mol:

668.389748

ΔHf, kcal/mol:

-407.19

Dipole, Da:

7.81

IP(EA), eV:

 -9.7(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(C(C(C(C)C)C(=O)NCC(C)C)O)O)NC(=O)C2=CC=CC=N2

DOS

IR

Vibrations