Geometry & MOs

Info

ID:

113206

PubChem CID:

50434657

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

678.297739

ΔHf, kcal/mol:

-222.7

Dipole, Da:

4.97

IP(EA), eV:

 -8.74(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=CC(=C4)F)F)C)C

DOS

IR

Vibrations