Geometry & MOs

Info

ID:

110466

PubChem CID:

50325526

Reduced:

BrO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

670.24783

ΔHf, kcal/mol:

-197.31

Dipole, Da:

4.9

IP(EA), eV:

 -8.96(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N)C(=O)N(C)C

DOS

IR

Vibrations