Geometry & MOs

Info

ID:

309710

PubChem CID:

126555707

Reduced:

SN3O3C27H33 (1)

Stoich.:

AB3C3D27E33 (1)

Weight, g/mol:

632.316977

ΔHf, kcal/mol:

-66.17

Dipole, Da:

6.05

IP(EA), eV:

 -8.96(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-5-formamidopentanoyl]amino]phenyl]methoxycarbonylamino]-6-imino-5-oxohexanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=C3C(=C2)C=C(N3C4CC4)CC5CCCCC5

DOS

IR

Vibrations