Geometry & MOs

Info

ID:

169426

PubChem CID:

75103301

Reduced:

Cl2O5F6N7H33C43 (1)

Stoich.:

A2B5C6D7E33F43 (1)

Weight, g/mol:

733.300616

ΔHf, kcal/mol:

-319.55

Dipole, Da:

5.91

IP(EA), eV:

 -9.25(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl.C1=CC(=CC=C1CC(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)C#N

DOS

IR

Vibrations