Geometry & MOs

Info

ID:

113404

PubChem CID:

50443681

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-221.96

Dipole, Da:

3.91

IP(EA), eV:

 -8.39(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(5-fluoro-2-methylphenyl)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)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations