Geometry & MOs

Info

ID:

191414

PubChem CID:

78144114

Reduced:

N5O18C67H91 (1)

Stoich.:

A5B18C67D91 (1)

Weight, g/mol:

1591.985406

ΔHf, kcal/mol:

-677.75

Dipole, Da:

7.81

IP(EA), eV:

 -7.76(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[[2-[[2-[[2-[[2-[[6-acetamido-2-[[6-amino-2-[[2-[[6-amino-2-[[6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoate

Drug info:

PubChemData

Smile

CCCCC(=CC=C(C)C(=C1C(=O)C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C.CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=O)C2=CNN5CCN(CC5)C)O)C

DOS

IR

Vibrations