Geometry & MOs

Info

ID:

17282

PubChem CID:

491594

Reduced:

SN7O12C41H65 (1)

Stoich.:

AB7C12D41E65 (1)

Weight, g/mol:

879.441192

ΔHf, kcal/mol:

-548.47

Dipole, Da:

7.26

IP(EA), eV:

 -9.29(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-[1-[(2S)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-4-yl]-2-(2-methylpropoxycarbonylamino)acetyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCN(CC2)C(=O)[C@H](CC(C)C)NS(=O)(=O)C)NC(=O)OCC(C)C

DOS

IR

Vibrations