Geometry & MOs

Info

ID:

105916

PubChem CID:

50142522

Reduced:

BrO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

682.360946

ΔHf, kcal/mol:

-192.22

Dipole, Da:

5.08

IP(EA), eV:

 -8.84(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C

DOS

IR

Vibrations