Geometry & MOs

Info

ID:

107889

PubChem CID:

50222759

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

698.379183

ΔHf, kcal/mol:

-265.17

Dipole, Da:

3.9

IP(EA), eV:

 -9.12(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)C

DOS

IR

Vibrations