Geometry & MOs

Info

ID:

45074

PubChem CID:

10507781

Reduced:

S3O5N7C25H25 (1)

Stoich.:

A3B5C7D25E25 (1)

Weight, g/mol:

599.339293

ΔHf, kcal/mol:

-22.19

Dipole, Da:

8.02

IP(EA), eV:

 -9.18(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[benzyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=CC=NN4C5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations