Geometry & MOs

Info

ID:

98321

PubChem CID:

50042661

Reduced:

F2O5N6C40H40 (1)

Stoich.:

A2B5C6D40E40 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-220.73

Dipole, Da:

8.14

IP(EA), eV:

 -8.68(-0.82)

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-[1-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations