Geometry & MOs

Info

ID:

167454

PubChem CID:

74830235

Reduced:

N2F3O3H19C20 (1)

Stoich.:

A2B3C3D19E20 (1)

Weight, g/mol:

1090.484077

ΔHf, kcal/mol:

-233.19

Dipole, Da:

4.05

IP(EA), eV:

 -8.74(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-[[2-[[2-[[2-[[2-(2-acetamidohexanoylamino)-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C2CCN(CC2=C(C(=C1O)O)C)C(=O)C=CC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations