Geometry & MOs

Info

ID:

106538

PubChem CID:

50167229

Reduced:

F3O4N5C31H38 (1)

Stoich.:

A3B4C5D31E38 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-299.71

Dipole, Da:

9.56

IP(EA), eV:

 -8.92(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations