Geometry & MOs

Info

ID:

215327

PubChem CID:

85084553

Reduced:

O6N11C42H59 (1)

Stoich.:

A6B11C42D59 (1)

Weight, g/mol:

813.464979

ΔHf, kcal/mol:

-229.17

Dipole, Da:

8.09

IP(EA), eV:

 -8.38(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-amino-1-[[1-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxopentan-2-yl]-2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]-4,5-dihydro-3H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC(C)(C)C)NC(=O)C(CC4=CN=CN4)N

DOS

IR

Vibrations