Geometry & MOs

Info

ID:

340116

PubChem CID:

127262125

Reduced:

SO5N6C32H46 (1)

Stoich.:

AB5C6D32E46 (1)

Weight, g/mol:

614.288654

ΔHf, kcal/mol:

-207.95

Dipole, Da:

3.51

IP(EA), eV:

 -8.71(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-ethylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C)[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations