Geometry & MOs

Info

ID:

115563

PubChem CID:

50527472

Reduced:

BrClO5N6C27H32 (1)

Stoich.:

ABC5D6E27F32 (1)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-192.45

Dipole, Da:

3.64

IP(EA), eV:

 -8.88(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Br)C(=O)N)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations