Geometry & MOs

Info

ID:

47481

PubChem CID:

10533241

Reduced:

S2O9N10C32H44 (1)

Stoich.:

A2B9C10D32E44 (1)

Weight, g/mol:

777.290629

ΔHf, kcal/mol:

-363.35

Dipole, Da:

10.28

IP(EA), eV:

 -8.74(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[5-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

C1C[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2C1)CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N)C(=O)O

DOS

IR

Vibrations