Geometry & MOs

Info

ID:

340117

PubChem CID:

127262126

Reduced:

SN6O6C30H42 (1)

Stoich.:

AB6C6D30E42 (1)

Weight, g/mol:

632.245075

ΔHf, kcal/mol:

-246.16

Dipole, Da:

4.56

IP(EA), eV:

 -8.53(-0.2)

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]-methylsulfanylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations