Geometry & MOs

Info

ID:

100323

PubChem CID:

50060123

Reduced:

F4O5N6C40H40 (1)

Stoich.:

A4B5C6D40E40 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-326.28

Dipole, Da:

6.23

IP(EA), eV:

 -8.88(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(2-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]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)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations