Geometry & MOs

Info

ID:

108560

PubChem CID:

50249842

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-245.41

Dipole, Da:

8.49

IP(EA), eV:

 -8.74(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N(C)C)C

DOS

IR

Vibrations