Geometry & MOs

Info

ID:

221762

PubChem CID:

85286117

Reduced:

SCl2O4N5C29H33 (1)

Stoich.:

AB2C4D5E29F33 (1)

Weight, g/mol:

618.280198

ΔHf, kcal/mol:

-136.07

Dipole, Da:

5.84

IP(EA), eV:

 -8.54(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-acetamido-3-[2-[3-[2-acetamido-3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CNC(=O)C2CCCN2C(=O)C(CC3=CC(=C(C=C3)Cl)Cl)NS(=O)(=O)CC4=CC=CC=C4)C)N

DOS

IR

Vibrations