Geometry & MOs

Info

ID:

97337

PubChem CID:

50030407

Reduced:

Cl2F2O4N5H29C30 (1)

Stoich.:

A2B2C4D5E29F30 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-219.32

Dipole, Da:

10.69

IP(EA), eV:

 -8.97(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations