Geometry & MOs

Info

ID:

118343

PubChem CID:

50639161

Reduced:

ClO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

609.11537

ΔHf, kcal/mol:

-153.63

Dipole, Da:

6.18

IP(EA), eV:

 -8.88(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl

DOS

IR

Vibrations