Geometry & MOs

Info

ID:

97611

PubChem CID:

50033048

Reduced:

F3N5O5H36C37 (1)

Stoich.:

A3B5C5D36E37 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-262.69

Dipole, Da:

10.59

IP(EA), eV:

 -8.64(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations