Geometry & MOs

Info

ID:

117413

PubChem CID:

50602223

Reduced:

ClO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

661.16666

ΔHf, kcal/mol:

-130.41

Dipole, Da:

2.19

IP(EA), eV:

 -8.91(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-bromoanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations