Geometry & MOs

Info

ID:

109146

PubChem CID:

50274151

Reduced:

BrO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-137.32

Dipole, Da:

8.1

IP(EA), eV:

 -8.82(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)Br)C

DOS

IR

Vibrations