Geometry & MOs

Info

ID:

106453

PubChem CID:

50163866

Reduced:

N6O7C36H48 (1)

Stoich.:

A6B7C36D48 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-282.24

Dipole, Da:

6.31

IP(EA), eV:

 -8.78(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[(2-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations