Geometry & MOs

Info

ID:

96979

PubChem CID:

50026723

Reduced:

ClO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-158.56

Dipole, Da:

7.82

IP(EA), eV:

 -8.52(-0.58)

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-[3-[(4-fluorophenyl)methylcarbamoyl]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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations