Geometry & MOs

Info

ID:

110743

PubChem CID:

50338537

Reduced:

BrO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

597.308183

ΔHf, kcal/mol:

-195.97

Dipole, Da:

2.66

IP(EA), eV:

 -9.15(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C(=O)N4CCCC4

DOS

IR

Vibrations