Geometry & MOs

Info

ID:

98467

PubChem CID:

50044395

Reduced:

F2N6O6C35H40 (1)

Stoich.:

A2B6C6D35E40 (1)

Weight, g/mol:

664.282089

ΔHf, kcal/mol:

-305.31

Dipole, Da:

10.93

IP(EA), eV:

 -8.36(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methoxyanilino)-1-oxopropan-2-yl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations