Geometry & MOs

Info

ID:

105516

PubChem CID:

50111155

Reduced:

SO4N5C29H39 (1)

Stoich.:

AB4C5D29E39 (1)

Weight, g/mol:

642.21653

ΔHf, kcal/mol:

-147.88

Dipole, Da:

8.26

IP(EA), eV:

 -8.42(-0.21)

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-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations