Geometry & MOs

Info

ID:

215326

PubChem CID:

85084549

Reduced:

N5O6C49H57 (1)

Stoich.:

A5B6C49D57 (1)

Weight, g/mol:

813.464979

ΔHf, kcal/mol:

-145.28

Dipole, Da:

6.34

IP(EA), eV:

 -8.21(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[1-[[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-4,4-dimethylpentanamide

Drug info:

PubChemData

Smile

CCC12CCCN(C1N3C4=CC=CC=C4C(=C3C(C2)C(=O)OC)C5CC6=CC=CC=C6N(C5CC7=C8C(=CC9(CCCN(C9N8C1=CC=CC=C17)O)CC)C(=O)OC)C)O

DOS

IR

Vibrations