Geometry & MOs

Info

ID:

106165

PubChem CID:

50151094

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-171.5

Dipole, Da:

2.42

IP(EA), eV:

 -8.87(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC(C5)C)C

DOS

IR

Vibrations