Geometry & MOs

Info

ID:

164345

PubChem CID:

74383418

Reduced:

ClF3N4O5C31H32 (1)

Stoich.:

AB3C4D5E31F32 (1)

Weight, g/mol:

766.506509

ΔHf, kcal/mol:

-250.21

Dipole, Da:

5.25

IP(EA), eV:

 -9.03(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[2-[[2-[(2-acetamido-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]pentanoylamino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCOC2=NC3=NC(=O)C=CC3C=C2)C4=C(C(=CC=C4)Cl)C(F)(F)F.C1=CC=C(C=C1)C(C(=O)O)O

DOS

IR

Vibrations