Geometry & MOs

Info

ID:

109988

PubChem CID:

50304144

Reduced:

ClO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-173.87

Dipole, Da:

10.79

IP(EA), eV:

 -8.68(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations