Geometry & MOs

Info

ID:

106169

PubChem CID:

50151242

Reduced:

FO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-260.93

Dipole, Da:

3.77

IP(EA), eV:

 -8.79(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CC)C

DOS

IR

Vibrations