Geometry & MOs

Info

ID:

97053

PubChem CID:

50027294

Reduced:

F2N5O5C31H33 (1)

Stoich.:

A2B5C5D31E33 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-247.78

Dipole, Da:

15.15

IP(EA), eV:

 -8.71(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C)OC

DOS

IR

Vibrations