Geometry & MOs

Info

ID:

98599

PubChem CID:

50045227

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-245.67

Dipole, Da:

4.34

IP(EA), eV:

 -9.28(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-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)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations