Geometry & MOs

Info

ID:

108012

PubChem CID:

50226644

Reduced:

F3O5N6C36H41 (1)

Stoich.:

A3B5C6D36E41 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-315.0

Dipole, Da:

2.67

IP(EA), eV:

 -8.67(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-fluorophenyl)-1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)F

DOS

IR

Vibrations