Geometry & MOs

Info

ID:

117264

PubChem CID:

50596300

Reduced:

BrClO5N6C35H46 (1)

Stoich.:

ABC5D6E35F46 (1)

Weight, g/mol:

716.20886

ΔHf, kcal/mol:

-223.25

Dipole, Da:

8.67

IP(EA), eV:

 -8.99(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4)Br

DOS

IR

Vibrations