Geometry & MOs

Info

ID:

425990

PubChem CID:

135134321

Reduced:

SN3O3C33H35 (1)

Stoich.:

AB3C3D33E35 (1)

Weight, g/mol:

601.278801

ΔHf, kcal/mol:

-21.29

Dipole, Da:

6.25

IP(EA), eV:

 -8.35(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4CCSCC4)C(=NC5=CC=CC=C5)/C=C\N)C6(C2=O)CCC6

DOS

IR

Vibrations