Geometry & MOs

Info

ID:

115543

PubChem CID:

50526634

Reduced:

ClFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

676.17756

ΔHf, kcal/mol:

-218.03

Dipole, Da:

5.67

IP(EA), eV:

 -8.86(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations