Geometry & MOs

Info

ID:

97041

PubChem CID:

50027162

Reduced:

F2N6O6C35H38 (1)

Stoich.:

A2B6C6D35E38 (1)

Weight, g/mol:

724.295152

ΔHf, kcal/mol:

-283.81

Dipole, Da:

14.32

IP(EA), eV:

 -8.81(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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)NCC(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations