Geometry & MOs

Info

ID:

340089

PubChem CID:

127262098

Reduced:

N6O6C31H44 (1)

Stoich.:

A6B6C31D44 (1)

Weight, g/mol:

614.288654

ΔHf, kcal/mol:

-267.3

Dipole, Da:

2.43

IP(EA), eV:

 -9.16(-0.17)

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-methylpentanamide

Drug info:

PubChemData

Smile

CCN([C@@H](CC(C)C)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