Geometry & MOs

Info

ID:

111701

PubChem CID:

50378172

Reduced:

BrN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

712.2584

ΔHf, kcal/mol:

-237.19

Dipole, Da:

3.95

IP(EA), eV:

 -8.88(-0.86)

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-[2-methyl-3-(morpholine-4-carbonyl)anilino]-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)N4CCOCC4

DOS

IR

Vibrations