Geometry & MOs

Info

ID:

106803

PubChem CID:

50176935

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-242.7

Dipole, Da:

4.06

IP(EA), eV:

 -8.88(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(2-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations