Geometry & MOs

Info

ID:

113103

PubChem CID:

50431171

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-262.62

Dipole, Da:

5.91

IP(EA), eV:

 -8.82(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations